Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB3 | P05106 | 1/20 | 0.45 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.45 |
| ▸ | EPOR | P19235 | 2/20 | 0.38 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 6/20 | 0.35 |
| ▸ | CA2 | P00918 | 6/20 | 0.35 |
| ▸ | CA12 | O43570 | 2/20 | 0.35 |
| ▸ | CA9 | Q16790 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | RECQL | P46063 | 1/20 | 0.35 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.35 |
| ▸ | CA4 | P22748 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8957356 | 0.95 | ITGB3 (0.47) | ITGB3ITGA2BEPORFOLH1CYP1A2 | |
| SCHEMBL8842428 | 0.88 | ALDH1A1 (0.41) | CA1CA2CA12CA9KDM4E | |
| SCHEMBL6047694 | 0.83 | EPOR (0.40) | ITGB3ITGA2BEPORFOLH1CA1 | |
| SCHEMBL6047708 | 0.83 | EPOR (0.40) | ITGB3ITGA2BEPORFOLH1CA1 | |
| SCHEMBL8842690 | 0.83 | ALDH1A1 (0.40) | CA1CA2CA12CA9KDM4E | |
| SCHEMBL8842421 | 0.83 | ALDH1A1 (0.43) | KDM4E | |
| SCHEMBL8957288 | 0.81 | ITGB3 (0.44) | ITGB3ITGA2BEPORCYP1A2CYP2D6 | |
| SCHEMBL8957385 | 0.81 | ADRB1 (0.37) | CYP1A2 | |
| SCHEMBL8092343 | 0.80 | MAOB (0.41) | TSHR | |
| SCHEMBL8378153 | 0.78 | LMNA (0.44) | EPORFOLH1CA1CA2CA12 |
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-5482700-A | Substituted polyamino, polycarboxy complexing agent dimers for MRI and X-ray contrast | SCHERING AKTIENGESELLSCHAFT (DE) | 1996-01-09 | — | — | US | disclosed |
| EP-0357622-A1 | SUBSTITUTED COMPLEX-FORMING SUBSTANCES, COMPLEXES AND COMPLEX SALTS, PROCESS FOR MANUFACTURE THEREOF AND PHARMACEUTICAL AGENTS WHICH CONTAIN THEM | SCHERING AKTIENGESELLSCHAFT (DE) | 1990-03-14 | — | — | EP | disclosed |
| WO-1988007521-A1 | SUBSTITUTED COMPLEX-FORMING SUBSTANCES, COMPLEXES AND COMPLEX SALTS, PROCESS FOR MANUFACTURE THEREOF AND PHARMACEUTICAL AGENTS WHICH CONTAIN THEM | SCHERING AKTIENGESELLSCHAFT (DE) | 1988-10-06 | — | — | WO | disclosed |