Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.35 |
| ▸ | TMIGD3 | P0DMS9 | 2/20 | 0.35 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | DAO | P14920 | 1/20 | 0.33 |
| ▸ | SELE | P16581 | 1/20 | 0.33 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.30 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.30 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9769293 | 0.75 | TSHR (0.34) | ALDH1A1MAPK1GAAUSP2NPC1 | |
| SCHEMBL11343217 | 0.75 | ALDH1A1 (0.40) | ALDH1A1MAPK1TMIGD3ADORA1GAA | |
| SCHEMBL20645742 | 0.73 | USP2 (0.39) | USP2 | |
| SCHEMBL9769291 | 0.73 | USP2 (0.32) | ALDH1A1USP2 | |
| SCHEMBL22789253 | 0.73 | GAA (0.38) | ALDH1A1MAPK1TMIGD3ADORA1GAA | |
| SCHEMBL6967658 | 0.73 | USP2 (0.47) | ALDH1A1MAPK1TMIGD3ADORA1GAA | |
| SCHEMBL11077481 | 0.73 | SELE (0.32) | ALDH1A1MAPK1TMIGD3ADORA1GAA | |
| SCHEMBL6967703 | 0.73 | ALDH1A1 (0.58) | ALDH1A1MAPK1TMIGD3ADORA1GAA | |
| SCHEMBL6058560 | 0.72 | NPC1 (0.36) | ALDH1A1MAPK1HSD17B10SMN1; SMN2HTT | |
| SCHEMBL14018717 | 0.72 | ALDH1A1 (0.47) | ALDH1A1MAPK1GAACYP1A2CYP2C9 |
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-20110178101-A1 | DUAL-ACTING THIOPHENE, PYRROLE, THIAZOLE AND FURAN ANTIHYPERTENSIVE AGENTS | THERAVANCE BIOPHARMA R&D IP, LLC | 2011-07-21 | — | — | US | disclosed |
| US-4256878-A | THIENYL COMPOUNDS, ANTITUMOR AGENTS | HOFFMANN-LA ROCHE INC. (US) | 1981-03-17 | — | — | US | disclosed |
| US-4230872-A | ANTITUMOR AGENTS, THIENYL-3,7-DIMETHYLNONA-2,4,6,8-TETRAENE | HOFFMANN-LA ROCHE INC. (US) | 1980-10-28 | — | — | US | disclosed |
| US-4116975-A | 9-THIENYL-3,7-DIMETHYLNONA-2,4,6,8-TETRAENES, ANTITUMOR | HOFFMANN-LA ROCHE INC. (US) | 1978-09-26 | — | — | US | disclosed |
| US-4061656-A | ANTITUMOR | HOFFMANN-LA ROCHE INC. (US) | 1977-12-06 | — | — | 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 (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-20110178101-A1 | DUAL-ACTING THIOPHENE, PYRROLE, THIAZOLE AND FURAN ANTIHYPERTENSIVE AGENTS | REN, AGTR1, AGTR2 | ALDH1A1 2122/4885MAPK1 2243/4885TMIGD3 3987/4885 |
“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.