Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 1/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.51 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | ESR1 | P03372 | 1/20 | 0.51 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.51 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.51 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.51 |
| ▸ | HPGD | P15428 | 1/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
| ▸ | GGT1 | P19440 | 1/20 | 0.51 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.51 |
| ▸ | BLM | P54132 | 1/20 | 0.51 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL8896493 | 1.00 | AKR1C3 (0.52) | AKR1C3KDM4EPTGS2HSD17B10ALDH1A1 | |
| SCHEMBL9820574 | 0.85 | PTGS2 (0.46) | KDM4EPTGS2HSD17B10ALDH1A1ESR1 | |
| SCHEMBL2066256 | 0.84 | LMNA (0.62) | AKR1C3KDM4ETDP1LMNAKMT2A | |
| SCHEMBL3626826 | 0.84 | LMNA (0.62) | AKR1C3KDM4ETDP1LMNAKMT2A | |
| SCHEMBL10638379 | 0.84 | AKR1C3 (0.46) | AKR1C3KDM4EALDH1A1LMNACYP1A2 | |
| SCHEMBL10638382 | 0.84 | AKR1C3 (0.46) | AKR1C3KDM4EALDH1A1LMNACYP1A2 | |
| SCHEMBL28588659 | 0.84 | PTGS2 (0.52) | KDM4EPTGS2HSD17B10ALDH1A1ESR1 | |
| Benzene SCHEMBL3155472 | 0.82 | ALDH1A1 (0.58) | KDM4EPTGS2HSD17B10ALDH1A1ESR1 | |
| SCHEMBL4061336 | 0.81 | HTT (0.57) | AKR1C3KDM4EALDH1A1HPGDLMNA | |
| SCHEMBL31666241 | 0.81 | AKR1C3 (0.68) | AKR1C3KDM4ELMNACYP2C9APEX1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-9095487-A | — | — | None | — | — | JP | disclosed |
| JP-H0995487-A | BENZOTRIAZOLE COMPOUND AND HEAT-SENSITIVE RECORDING MATERIAL | FUJI PHOTO FILM CO LTD | 1997-04-08 | — | — | JP | disclosed |