Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 3/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.43 |
| ▸ | MEN1 | O00255 | 3/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | ESR1 | P03372 | 1/20 | 0.42 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.42 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.42 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.42 |
| ▸ | GGT1 | P19440 | 1/20 | 0.42 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.42 |
| ▸ | BLM | P54132 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL9141882 | 1.00 | AKR1C3 (0.47) | AKR1C3ALDH1A1ALOX15TSHRHPGD | |
| SCHEMBL9142024 | 0.91 | AKR1C3 (0.55) | AKR1C3ALDH1A1ALOX15HPGDKDM4E | |
| SCHEMBL9041393 | 0.91 | AKR1C3 (0.55) | AKR1C3ALDH1A1ALOX15HPGDKDM4E | |
| SCHEMBL9043213 | 0.85 | AKR1C3 (0.48) | AKR1C3ALDH1A1ALOX15TSHRHPGD | |
| SCHEMBL4957182 | 0.84 | TSHR (0.52) | ALOX15TSHRHPGDKDM4EKMT2A | |
| SCHEMBL9079039 | 0.78 | AKR1C3 (0.42) | AKR1C3ALDH1A1ALOX15TSHRHPGD | |
| SCHEMBL9143547 | 0.78 | AKR1C3 (0.42) | AKR1C3ALDH1A1ALOX15TSHRHPGD | |
| SCHEMBL15081529 | 0.76 | TSHR (0.56) | ALDH1A1ALOX15TSHRHPGDKDM4E | |
| SCHEMBL14868118 | 0.76 | TSHR (0.56) | ALDH1A1ALOX15TSHRHPGDKDM4E | |
| SCHEMBL14868116 | 0.76 | TSHR (0.56) | ALDH1A1ALOX15TSHRHPGDKDM4E |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5585382-A | ANTICARCINOGENIC AGENTS | THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) | 1996-12-17 | — | — | US | disclosed |
| EP-0705250-A1 | BIS-IMIDE POLYCYCLIC AND HETEROCYCLIC CHROMOPHORES USEFUL AS TUMORICIDALS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1996-04-10 | — | — | EP | disclosed |
| US-5416089-A | Antitumor agent | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1995-05-16 | — | — | US | disclosed |
| WO-1995000490-A1 | BIS-IMIDE POLYCYCLIC AND HETEROCYCLIC CHROMOPHORES USEFUL AS TUMORICIDALS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1995-01-05 | — | — | WO | disclosed |