Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN22 | Q9Y2R2 | 1/20 | 0.54 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.48 |
| ▸ | USP2 | O75604 | 1/20 | 0.48 |
| ▸ | PAK1 | Q13153 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 4/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.46 |
| ▸ | GAA | P10253 | 3/20 | 0.46 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.46 |
| ▸ | ERN1 | O75460 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | IDO1 | P14902 | 1/20 | 0.42 |
| ▸ | GLA | P06280 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| SCHEMBL3244528 | 0.79 | PTPN22 (0.54) | PTPN22POLBHSD17B10CYP1A2USP2 | |
| SCHEMBL20529660 | 0.79 | PTPN22 (0.54) | PTPN22POLBHSD17B10CYP1A2USP2 | |
| SCHEMBL30393017 | 0.79 | PTPN22 (0.54) | PTPN22POLBHSD17B10CYP1A2USP2 | |
| SCHEMBL1855575 | 0.79 | ESR1 (0.54) | PTPN22POLBHSD17B10CYP1A2USP2 | |
| Benzene SCHEMBL21836124 | 0.78 | PTPN22 (0.52) | PTPN22POLBHSD17B10CYP1A2USP2 | |
| SCHEMBL28497134 | 0.76 | PTPN22 (0.50) | PTPN22POLBHSD17B10CYP1A2USP2 | |
| SCHEMBL28624944 | 0.75 | PTPN22 (0.48) | PTPN22POLBHSD17B10CYP1A2USP2 | |
| SCHEMBL28797628 | 0.73 | PTPN22 (0.47) | PTPN22POLBHSD17B10CYP1A2USP2 | |
| SCHEMBL1611801 | 0.73 | ALDH1A1 (0.44) | POLBHSD17B10CYP1A2CYP2C19MAPT | |
| SCHEMBL20529698 | 0.72 | PTPN22 (0.46) | PTPN22POLBHSD17B10CYP1A2USP2 |
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-6096144-A | TREATING WITH ACIDIC OR ALKALINE SOLUTION OF CONJUGATED UNSATURATED COMPOUND WITH AT LEAST 5 BONDS | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2000-08-01 | — | — | US | disclosed |
| US-5858571-A | TREATING A PULVERIZED HYDROGEN ABSORBING ALLOY WITH A SOLUTION COMPRISING A CONJUGATED UNSATURATED COMPOUND | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 1999-01-12 | — | — | US | disclosed |