Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 5/20 | 0.51 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.40 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 3/20 | 0.40 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.40 |
| ▸ | MME | P08473 | 1/20 | 0.39 |
| ▸ | MMP8 | P22894 | 1/20 | 0.39 |
| ▸ | KLK7 | P49862 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.37 |
| ▸ | HDAC4 | P56524 | 3/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.37 |
| ▸ | HDAC7 | Q8WUI4 | 3/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.37 |
| ▸ | HDAC10 | Q969S8 | 3/20 | 0.37 |
| ▸ | HDAC11 | Q96DB2 | 3/20 | 0.37 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL15918886 | 0.87 | KMT2A (0.39) | KMT2AHKDC1MMEMMP8LMNA | |
| SCHEMBL10061860 | 0.81 | KCNA5 (0.50) | KMT2APTGS1PTGS2KCNA5MEN1 | |
| SCHEMBL16732180 | 0.78 | KMT2A (0.56) | KMT2APTGS1PTGS2MEN1HKDC1 | |
| SCHEMBL3168058 | 0.76 | KMT2A (0.59) | KMT2APTGS1PTGS2MEN1MMP8 | |
| SCHEMBL20274587 | 0.76 | KMT2A (0.59) | KMT2APTGS1PTGS2MEN1MMP8 | |
| SCHEMBL6049796 | 0.76 | KMT2A (0.55) | KMT2APTGS1PTGS2MEN1HKDC1 | |
| SCHEMBL7447268 | 0.74 | KDM4E (0.40) | KMT2AMEN1LMNAPOLBALDH1A1 | |
| SCHEMBL6174681 | 0.74 | CYP3A4 (0.52) | KMT2APTGS1PTGS2MEN1HKDC1 | |
| SCHEMBL3066438 | 0.73 | KMT2A (0.60) | KMT2APTGS1PTGS2MEN1LMNA | |
| SCHEMBL3066439 | 0.73 | KMT2A (0.60) | KMT2APTGS1PTGS2MEN1LMNA |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8969370-B2 | 3-carboxypropyl-aminotetralin derivatives and related compounds as mu opioid receptor antagonists | THERAVANCE BIOPHARMA R&D IP, LLC (US) | 2015-03-03 | — | — | US | disclosed |
| US-20140329845-A1 | 3-CARBOXYPROPYL-AMINOTETRALIN DERIVATIVES AND RELATED COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS | THERAVANCE, INC. (US) | 2014-11-06 | — | — | US | disclosed |
| US-8703791-B2 | 3-carboxypropyl-aminotetralin derivatives and related compounds as mu opioid receptor antagonists | THERAVANCE, INC. (US) | 2014-04-22 | — | — | US | disclosed |
| US-20140031380-A1 | 3-CARBOXYPROPYL-AMINOTETRALIN DERIVATIVES AND RELATED COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS | THERAVANCE, INC. (US) | 2014-01-30 | — | — | US | disclosed |
| US-8492399-B2 | 3-carboxypropyl-aminotetralin derivatives and related compounds as mu opioid receptor antagonists | THERAVANCE, INC. (US) | 2013-07-23 | — | — | US | disclosed |
| EP-2231585-B1 | 3-CARBOXYPROPYL-AMINOTETRALIN DERIVATIVES AS MU OPIOID RECEPTOR ANTAGONISTS | THERAVANCE INC (US) | 2013-02-13 | — | — | EP | disclosed |
| US-20130035510-A1 | 3-CARBOXYPROPYL-AMINOTETRALIN DERIVATIVES AND RELATED COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS | THERAVANCE, INC. (US) | 2013-02-07 | — | — | US | disclosed |
| US-8318765-B2 | 3-carboxypropyl-aminotetralin derivatives and related compounds as mu opioid receptor antagonists | THERAVANCE, INC. (US) | 2012-11-27 | — | — | US | disclosed |
| US-20120088787-A1 | 3-CARBOXYPROPYL-AMINOTETRALIN DERIVATIVES AND RELATED COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS | THERAVANCE, INC. (US) | 2012-04-12 | — | — | US | disclosed |
| US-8106232-B2 | 3-carboxypropyl-aminotetralin derivatives and related compounds as mu opioid receptor antagonists | THERAVANCE, INC. (US) | 2012-01-31 | — | — | US | disclosed |
| US-20090149535-A1 | 3-CARBOXYPROPYL-AMINOTETRALIN DERIVATIVES AND RELATED COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS | THERAVANCE BIOPHARMA R&D IP, LLC | 2009-06-11 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20130035510-A1 | 3-CARBOXYPROPYL-AMINOTETRALIN DERIVATIVES AND RELATED COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS | OPRL1, OPRM1, OPRK1 | KMT2A 2107/4885PTGS1 183/4885PTGS2 392/4885 |
| US-20120088787-A1 | 3-CARBOXYPROPYL-AMINOTETRALIN DERIVATIVES AND RELATED COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS | OPRL1, OPRM1, OPRK1 | KMT2A 2107/4885PTGS1 183/4885PTGS2 392/4885 |
| US-20090149535-A1 | 3-CARBOXYPROPYL-AMINOTETRALIN DERIVATIVES AND RELATED COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS | OPRL1, OPRM1, OPRK1 | KMT2A 2107/4885PTGS1 183/4885PTGS2 392/4885 |
| US-20140329845-A1 | 3-CARBOXYPROPYL-AMINOTETRALIN DERIVATIVES AND RELATED COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS | OPRL1, OPRM1, OPRK1 | KMT2A 2107/4885PTGS1 183/4885PTGS2 392/4885 |
| US-20140031380-A1 | 3-CARBOXYPROPYL-AMINOTETRALIN DERIVATIVES AND RELATED COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS | OPRL1, OPRM1, OPRK1 | KMT2A 2107/4885PTGS1 183/4885PTGS2 392/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.