Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.63 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.61 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.61 |
| ▸ | MAOA | P21397 | 1/20 | 0.61 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.61 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.61 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.61 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.61 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.61 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.61 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.57 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.54 |
| ▸ | CSNK1E | P49674 | 1/20 | 0.50 |
| ▸ | ALPI | P09923 | 1/20 | 0.50 |
| ▸ | PKM | P14618 | 1/20 | 0.50 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.50 |
| ▸ | XIAP | P98170 | 1/20 | 0.50 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.50 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.48 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL9816875 | 1.00 | CYP2D6 (0.63) | CYP2D6SLC6A2TAAR1MAOASLC6A4 | |
| SCHEMBL20179498 | 1.00 | CYP2D6 (0.63) | CYP2D6SLC6A2TAAR1MAOASLC6A4 | |
| Hydrochloric Acid SCHEMBL835498 | 0.98 | CYP2D6 (0.61) | CYP2D6SLC6A2TAAR1MAOASLC6A4 | |
| SCHEMBL15640342 | 0.83 | SLC6A2 (0.57) | CYP2D6SLC6A2TAAR1MAOASLC6A4 | |
| SCHEMBL1168783 | 0.83 | SLC6A2 (0.57) | CYP2D6SLC6A2TAAR1MAOASLC6A4 | |
| SCHEMBL11163544 | 0.82 | EPHX1 (0.58) | CYP2D6SLC6A2TAAR1MAOASLC6A4 | |
| SCHEMBL873142 | 0.82 | TRPA1 (0.61) | CYP2D6SLC6A2TAAR1MAOASLC6A4 | |
| SCHEMBL107335 | 0.82 | TRPA1 (0.61) | CYP2D6SLC6A2TAAR1MAOASLC6A4 | |
| SCHEMBL26085425 | 0.82 | TRPA1 (0.61) | CYP2D6SLC6A2TAAR1MAOASLC6A4 | |
| SCHEMBL26085426 | 0.82 | TRPA1 (0.61) | CYP2D6SLC6A2TAAR1MAOASLC6A4 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120252770-A1 | Chemical Compounds 572 | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2012-10-04 | — | — | US | disclosed |
| US-20120252770-A1 | Chemical Compounds 572 | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2012-10-04 | — | — | US | disclosed |
| US-8143290-B2 | Chemical compounds 572 | ASTRAZENECA AB (SE) | 2012-03-27 | — | — | US | disclosed |
| US-20110071194-A1 | Chemical Compounds 572 | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2011-03-24 | — | — | US | disclosed |
| US-20100197644-A1 | Chemical Compounds 572 | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2010-08-05 | — | — | 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 (3 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-20100197644-A1 | Chemical Compounds 572 | ABCG2, ABCB1, CYP11B2 | CYP2D6 17/4885SLC6A2 3062/4885TAAR1 4379/4885 |
| US-20120252770-A1 | Chemical Compounds 572 | ABCG2, ABCB1, CYP11B2 | CYP2D6 17/4885SLC6A2 3062/4885TAAR1 4379/4885 |
| US-20110071194-A1 | Chemical Compounds 572 | ABCG2, ABCB1, CYP11B2 | CYP2D6 17/4885SLC6A2 3062/4885TAAR1 4379/4885 |
“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.