Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C1 | Q04828 | 4/20 | 0.47 |
| ▸ | AKR1C2 | P52895 | 3/20 | 0.41 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | CES1 | P23141 | 3/20 | 0.40 |
| ▸ | CES2 | O00748 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 5/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | AKT1 | P31749 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | PARP1 | P09874 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
| ▸ | BLM | P54132 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8162561 | 1.00 | AKR1C1 (0.47) | AKR1C1AKR1C2AKR1C3PTGS2KMT2A | |
| SCHEMBL8219777 | 0.90 | MAPT (0.49) | PTGS2KMT2AALDH1A1MEN1MAPT | |
| SCHEMBL10765334 | 0.86 | AKR1C1 (0.44) | AKR1C1AKR1C2AKR1C3PTGS2KMT2A | |
| SCHEMBL10765330 | 0.86 | AKR1C1 (0.44) | AKR1C1AKR1C2AKR1C3PTGS2KMT2A | |
| SCHEMBL31580973 | 0.83 | CYP1A2 (0.47) | AKR1C1KMT2ACES1CES2ALDH1A1 | |
| SCHEMBL8215469 | 0.81 | GSK3B (0.41) | KMT2AALDH1A1MEN1MAPTL3MBTL1 | |
| SCHEMBL23079029 | 0.80 | ERCC5 (0.45) | KMT2AMEN1TSHRHPGDMAPK1 | |
| SCHEMBL6257826 | 0.80 | LMNA (0.37) | KMT2AALDH1A1MEN1MAPTCYP3A4 | |
| SCHEMBL6257819 | 0.80 | LMNA (0.37) | KMT2AALDH1A1MEN1MAPTCYP3A4 | |
| SCHEMBL8343039 | 0.79 | AKR1C1 (0.52) | AKR1C1AKR1C2AKR1C3PTGS2KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-0800503-B1 | NOVEL TRIENOIC RETINOID COMPOUNDS AND METHODS | LIGAND PHARM INC (US) | 2000-05-10 | — | — | EP | disclosed |
| US-3882157-A | INSECTICIDES | SANDOZ | 1975-05-06 | — | — | US | disclosed |
| US-3882157-A | INSECTICIDES | SANDOZ | 1975-05-06 | — | — | US | disclosed |