Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 2/20 | 0.59 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.46 |
| ▸ | CXCL8 | P10145 | 5/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | FDPS | P14324 | 1/20 | 0.43 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.42 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.42 |
| ▸ | ABCB11 | O95342 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.42 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.42 |
| ▸ | UGT1A9 | O60656 | 1/20 | 0.42 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.42 |
| ▸ | MT-CO2 | P00403 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL72851 | 0.98 | AKR1B1 (0.61) | AKR1B1TDP1CYP2C9HPGDCYP2C19 | |
| Ammonia Solution, Strong SCHEMBL27823309 | 0.96 | AKR1B1 (0.59) | AKR1B1TDP1CYP2C9HPGDCYP2C19 | |
| SCHEMBL6657242 | 0.96 | AKR1B1 (0.59) | AKR1B1TDP1CYP2C9HPGDCYP2C19 | |
| Hydrochloric Acid SCHEMBL5064627 | 0.96 | AKR1B1 (0.59) | AKR1B1TDP1CYP2C9HPGDCYP2C19 | |
| SCHEMBL15820219 | 0.96 | AKR1B1 (0.59) | AKR1B1TDP1CYP2C9HPGDCYP2C19 | |
| SCHEMBL28066741 | 0.96 | AKR1B1 (0.59) | AKR1B1TDP1CYP2C9HPGDCYP2C19 | |
| Acetic Acid SCHEMBL9403713 | 0.92 | AKR1B1 (0.55) | AKR1B1TDP1CYP2C9HPGDCYP2C19 | |
| SCHEMBL11071787 | 0.85 | AKR1B1 (0.48) | AKR1B1TDP1CYP2C9HPGDCYP2C19 | |
| SCHEMBL11066047 | 0.84 | AKR1B1 (0.47) | AKR1B1TDP1CYP2C9HPGDCYP2C19 | |
| SCHEMBL28198860 | 0.84 | CXCL8 (0.49) | AKR1B1TDP1CYP2C9HPGDCYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| US-4338461-A | REDUCTION OF 2-AMINO-2 PHENYLACETIC ACID WITH METALLIC SODIUM IN PRESENCE OF WATER AND LIQUID AMMONIA | NIPPON KASEI CHEMICAL CO., LTD. (JP) | 1982-07-06 | — | — | US | disclosed |