Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 6/20 | 0.48 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.48 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.48 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.48 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | GPR84 | Q9NQS5 | 7/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.43 |
| ▸ | KDR | P35968 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL9154650 | 0.91 | ESR1 (0.45) | ESR1AKR1C4AKR1C3AKR1C2AKR1C1 | |
| SCHEMBL9150482 | 0.90 | GPR84 (0.45) | ESR1AKR1C4AKR1C3AKR1C2AKR1C1 | |
| SCHEMBL9150492 | 0.90 | GPR84 (0.45) | ESR1AKR1C4AKR1C3AKR1C2AKR1C1 | |
| SCHEMBL1156268 | 0.84 | CA12 (0.45) | ESR1ALDH1A1NPC1RAB9ALMNA | |
| SCHEMBL9147411 | 0.80 | HCAR2 (0.53) | ALDH1A1MAPTGPR84 | |
| SCHEMBL9148988 | 0.80 | HCAR2 (0.53) | ALDH1A1MAPTGPR84 | |
| SCHEMBL9019247 | 0.79 | HCAR2 (0.51) | ALDH1A1MAPTGPR84 | |
| SCHEMBL6899149 | 0.77 | CA12 (0.47) | ESR1ALDH1A1LMNATDP1 | |
| SCHEMBL10174687 | 0.75 | SMN1; SMN2 (0.46) | ESR1ALDH1A1MAPTLMNACHRM1 | |
| SCHEMBL30058681 | 0.74 | ESR1 (0.59) | ESR1AKR1C4AKR1C3AKR1C2AKR1C1 |
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-RE35096-E | Antilipemic, anticholesterol, arteriosclerosis | MITSUBISHI CHEMICAL CORPORATION (JP) | 1995-11-21 | — | — | US | disclosed |
| US-5082856-A | Hyperlipemia, arteriosclerosis | MITSUBISHI KASEI CORPORATION (JP) | 1992-01-21 | — | — | US | disclosed |
| EP-0347902-A2 | Pyrrolecarboxylic acid derivatives | Mitsubishi Chemical Corporation (JP) | 1989-12-27 | — | — | EP | disclosed |