Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 5/20 | 0.41 |
| ▸ | AKR1C2 | P52895 | 5/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 4/20 | 0.39 |
| ▸ | TP53 | P04637 | 2/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.37 |
| ▸ | RAB9A | P51151 | 3/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.35 |
| ▸ | IDO1 | P14902 | 2/20 | 0.35 |
| ▸ | CASR | P41180 | 2/20 | 0.33 |
| ▸ | PYCR1 | P32322 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9825402 | 0.88 | ALOX5 (0.39) | AKR1C3AKR1C2IDO1PYCR1 | |
| SCHEMBL9825318 | 0.85 | UCHL3 (0.44) | AKR1C3AKR1C2TP53RAB9AMAPK1 | |
| SCHEMBL9825720 | 0.84 | UCHL3 (0.41) | PTGS2TSHRHSD17B10 | |
| SCHEMBL9825864 | 0.83 | UCHL3 (0.40) | MAPTTP53LMNAALDH1A1PTGS2 | |
| SCHEMBL9825167 | 0.82 | CYP1A2 (0.42) | AKR1C3AKR1C2CYP1A2CYP2A6MAPT | |
| SCHEMBL9876204 | 0.76 | L3MBTL1 (0.45) | MAPTTP53L3MBTL1RAB9ALMNA | |
| SCHEMBL9826560 | 0.75 | GSTP1 (0.50) | AKR1C3AKR1C2CYP1A2CYP2A6PTGS2 | |
| SCHEMBL9825472 | 0.75 | AKR1C3 (0.46) | AKR1C3AKR1C2CYP1A2CYP2A6MAPT | |
| SCHEMBL31391056 | 0.72 | AKR1C3 (0.64) | AKR1C3AKR1C2CYP1A2CYP2A6MAPT | |
| SCHEMBL18563344 | 0.72 | AKR1C3 (0.59) | AKR1C3AKR1C2CYP1A2CYP2A6MAPT |
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 |
|---|---|---|---|---|---|---|---|
| US-5037575-A | Photostability | MITSUBISHI CHEMICAL INDUSTRIES LTD. (JP) | 1991-08-06 | — | — | US | disclosed |
| EP-0187015-B1 | SQUARILIUM COMPOUND AND LIQUID CRYSTAL COMPOSITION CONTAINING THE SAME | MITSUBISHI KASEI CORPORATION (JP) | 1991-05-29 | — | — | EP | disclosed |