Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | MLYCD | O95822 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 5/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | MMP1 | P03956 | 1/20 | 0.38 |
| ▸ | MMP2 | P08253 | 1/20 | 0.38 |
| ▸ | MMP3 | P08254 | 1/20 | 0.38 |
| ▸ | MMP9 | P14780 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | CHKA | P35790 | 1/20 | 0.37 |
| ▸ | DPP4 | P27487 | 2/20 | 0.36 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL14157311 | 0.98 | MLYCD (0.42) | ALDH1A1MLYCDHPGDMEN1KMT2A | |
| Trifluoroacetic Acid SCHEMBL28214831 | 0.93 | ALDH1A1 (0.39) | ALDH1A1MLYCDHPGDMEN1KMT2A | |
| SCHEMBL64790 | 0.84 | — | — | |
| SCHEMBL21291787 | 0.84 | ALDH1A1 (0.58) | ALDH1A1HPGDMEN1KMT2AMMP1 | |
| SCHEMBL6704420 | 0.84 | ALDH1A1 (0.58) | ALDH1A1HPGDMEN1KMT2AMMP1 | |
| SCHEMBL9537676 | 0.84 | ALDH1A1 (0.58) | ALDH1A1HPGDMEN1KMT2AMMP1 | |
| SCHEMBL1151783 | 0.84 | ALDH1A1 (0.58) | ALDH1A1HPGDMEN1KMT2AMMP1 | |
| Trifluoroacetic Acid SCHEMBL4524939 | 0.82 | ALDH1A1 (0.41) | ALDH1A1MLYCDHPGDMEN1KMT2A | |
| Water SCHEMBL9407657 | 0.82 | ALDH1A1 (0.55) | ALDH1A1HPGDMEN1KMT2AMMP1 | |
| Hydrochloric Acid SCHEMBL1477069 | 0.82 | ALDH1A1 (0.55) | ALDH1A1HPGDMEN1KMT2AMMP1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8633175-B2 | Compounds as antagonists or inverse agonists at opioid receptors | GLAXOSMITHKLINE LLC (US) | 2014-01-21 | — | — | US | disclosed |
| US-20110124559-A1 | NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS | SMITHKLINE BEECHAM CORPORATION (US) | 2011-05-26 | — | — | US | disclosed |
| WO-2005007083-A2 | CHEMICAL COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 2005-01-27 | — | — | WO | 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 (1 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-20110124559-A1 | NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS | OPRL1, OPRM1, OPRK1 | ALDH1A1 3500/4885MLYCD 4482/4885HPGD 1582/4885 |
“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.