Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 1/20 | 0.52 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | AKT1 | P31749 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | TGM2 | P21980 | 1/20 | 0.41 |
| ▸ | RECQL | P46063 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.40 |
| ▸ | TNKS | O95271 | 1/20 | 0.40 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL175544 | 1.00 | AKR1C3 (0.52) | AKR1C3AKR1C1CYP2C9CYP3A4AKT1 | |
| Acetic Acid SCHEMBL6697876 | 0.94 | AKR1C3 (0.57) | AKR1C3AKR1C1CYP2C9CYP3A4AKT1 | |
| SCHEMBL10643208 | 0.87 | AKR1C3 (0.47) | AKR1C3AKR1C1CYP2C9CYP3A4AKT1 | |
| SCHEMBL3803614 | 0.86 | AKR1C3 (0.47) | AKR1C3AKR1C1CYP2C9CYP3A4AKT1 | |
| SCHEMBL380360 | 0.84 | TP53 (0.40) | AKR1C3AKR1C1CYP2C9CYP3A4AKT1 | |
| SCHEMBL15686735 | 0.83 | AKR1C3 (0.53) | AKR1C3AKR1C1AKT1HTTALDH1A1 | |
| SCHEMBL7797919 | 0.82 | ALDH1A1 (0.47) | AKR1C3AKR1C1CYP2C9HTTALDH1A1 | |
| SCHEMBL3258198 | 0.82 | AKT1 (0.50) | AKR1C3AKR1C1AKT1HTTALDH1A1 | |
| SCHEMBL30172772 | 0.81 | LMNA (0.47) | CYP2C9ALDH1A1ACHERECQLMEN1 | |
| SCHEMBL3130262 | 0.80 | AKR1C3 (0.46) | AKR1C3AKR1C1CYP2C9CYP3A4TP53 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2007139810-A2 | PHOTO-INDUCED COPOLYMER FUNCTIONALIZED SUBSTRATES | UNIVERSITY OF MASSACHUSETTS (US) | 2007-12-06 | — | — | WO | disclosed |