Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | CA5A | P35218 | 1/20 | 0.30 |
| ▸ | CA5B | Q9Y2D0 | 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 | |
|---|---|---|---|---|
| SCHEMBL10484218 | 1.00 | ALDH1A1 (0.41) | ALDH1A1KDM4ETSHRTDP1CA5A | |
| SCHEMBL10484037 | 1.00 | ALDH1A1 (0.41) | ALDH1A1KDM4ETSHRTDP1CA5A | |
| SCHEMBL10899437 | 0.78 | — | — | |
| SCHEMBL9460690 | 0.77 | ALDH1A1 (0.38) | ALDH1A1KDM4ETSHRTDP1CA5A | |
| SCHEMBL5597698 | 0.74 | — | — | |
| SCHEMBL1702973 | 0.74 | — | — | |
| Nitric Acid SCHEMBL8584436 | 0.74 | ALDH1A1 (0.41) | ALDH1A1KDM4ETSHRTDP1CA5A | |
| SCHEMBL8737161 | 0.74 | — | — | |
| SCHEMBL10628980 | 0.72 | ALDH1A1 (0.35) | ALDH1A1KDM4ETSHRTDP1CA5A | |
| Nitric Acid SCHEMBL10804357 | 0.72 | CA5A (0.44) | ALDH1A1KDM4ECA5ACA5B |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4829090-A | SECONDARY AMINES, ANTITUMOR | BURROUGHS WELLCOME CO. (US) | 1989-05-09 | — | — | US | disclosed |
| US-4810727-A | ANTITUMOR | BURROUGHS WELLCOME CO. (US) | 1989-03-07 | — | — | US | disclosed |
| US-4719048-A | ANTITUMOR | BURROUGHS WELLCOME CO. (US) | 1988-01-12 | — | — | US | disclosed |
| US-4719046-A | ANTITUMOR | BURROUGHS WELLCOME CO. (US) | 1988-01-12 | — | — | US | disclosed |
| EP-0125702-B1 | POLYCYCLIC AROMATIC COMPOUNDS | THE WELLCOME FOUNDATION LIMITED (GB) | 1987-08-12 | — | — | EP | disclosed |
| EP-0125702-A2 | Polycyclic aromatic compounds | THE WELLCOME FOUNDATION LIMITED (GB) | 1984-11-21 | — | — | EP | disclosed |