Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 1/20 | 0.46 |
| ▸ | HTR2C | P28335 | 1/20 | 0.46 |
| ▸ | HTR2B | P41595 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | CES2 | O00748 | 1/20 | 0.43 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | UGT2B7 | P16662 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.37 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.37 |
| ▸ | CDK2 | P24941 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL9129413 | 0.90 | CYP1A2 (0.42) | HTR2AHTR2CHTR2BCYP1A2CYP2A6 | |
| SCHEMBL9131668 | 0.87 | CYP1A2 (0.45) | HTR2AHTR2CHTR2BCYP1A2CYP2A6 | |
| SCHEMBL7434130 | 0.82 | GABRA1 (0.41) | HTR2CHTR2BCYP1A2CES2 | |
| SCHEMBL9131807 | 0.81 | GABRA1 (0.41) | HTR2CHTR2BCYP1A2MEN1KMT2A | |
| SCHEMBL9134887 | 0.80 | HTR2A (0.45) | HTR2AHTR2CHTR2BCYP1A2CYP2A6 | |
| SCHEMBL7430127 | 0.76 | ALOX5 (0.50) | CYP1A2ALOX5MEN1KMT2A | |
| SCHEMBL10137777 | 0.73 | CYP1A2 (0.53) | HTR2AHTR2CHTR2BCYP1A2CYP2A6 | |
| 2-Naphthylacetic Acid SCHEMBL11542553 | 0.70 | NR1H4 (0.63) | HTR2AHTR2CHTR2BCYP1A2CYP2A6 | |
| SCHEMBL5538922 | 0.70 | CYP1A2 (0.59) | HTR2AHTR2CHTR2BCYP1A2CYP2A6 | |
| SCHEMBL9132471 | 0.70 | TSHR (0.49) | CES2MEN1KMT2A |
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-5430155-A | Viricides, treatment of AIDS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1995-07-04 | — | — | US | disclosed |