Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 5/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.36 |
| ▸ | BCHE | P06276 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | TRAP1 | Q12931 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | BRD1 | O95696 | 1/20 | 0.31 |
| ▸ | TAF1 | P21675 | 1/20 | 0.31 |
| ▸ | BRPF1 | P55201 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL11237534 | 0.81 | TAAR1 (0.55) | TDP1ALDH1A1TAAR1BCHEPOLB | |
| SCHEMBL14573964 | 0.79 | TP53 (0.40) | TDP1ALDH1A1KDM4ETAAR1BCHE | |
| SCHEMBL12952724 | 0.79 | TAAR1 (0.57) | TDP1ALDH1A1KDM4ETAAR1BCHE | |
| SCHEMBL806515 | 0.79 | CYP2A6 (0.52) | CYP2A6CYP1A2TDP1ALDH1A1KDM4E | |
| SCHEMBL38652213 | 0.79 | TAAR1 (0.57) | TDP1ALDH1A1KDM4ETAAR1BCHE | |
| SCHEMBL19983484 | 0.76 | IGF1R (0.49) | CYP2A6CYP1A2TDP1BCHE | |
| SCHEMBL24893007 | 0.74 | KDM4E (0.46) | CYP2A6CYP1A2TDP1ALDH1A1KDM4E | |
| SCHEMBL38650825 | 0.73 | TAAR1 (0.59) | TDP1ALDH1A1KDM4ETAAR1POLB | |
| SCHEMBL79895 | 0.73 | TAAR1 (0.59) | TDP1ALDH1A1KDM4ETAAR1POLB | |
| SCHEMBL30700349 | 0.73 | TP53 (0.41) | TDP1ALDH1A1KDM4ETAAR1LMNA |
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 |
|---|---|---|---|---|---|---|---|
| EP-2331552-B1 | HEPATITIS C VIRUS INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2013-02-27 | — | — | EP | disclosed |