Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 2/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | HSD17B1 | P14061 | 10/20 | 0.43 |
| ▸ | HSD17B2 | P37059 | 10/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | CNR1 | P21554 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.38 |
| ▸ | PRF1 | P14222 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | ACHE | P22303 | 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 | |
|---|---|---|---|---|
| SCHEMBL7010956 | 0.83 | CYP2A6 (0.54) | TP53HSD17B1HSD17B2MEN1ALDH1A1 | |
| SCHEMBL19741486 | 0.81 | HSD17B1 (0.56) | TP53HSD17B1HSD17B2MEN1ALDH1A1 | |
| SCHEMBL10622848 | 0.79 | HSD17B1 (0.44) | TP53HSD17B1HSD17B2MEN1ALDH1A1 | |
| SCHEMBL15096133 | 0.79 | APP (0.41) | HSD17B1HSD17B2ALDH1A1HPGDMAPT | |
| SCHEMBL10455681 | 0.77 | HSD17B1 (0.59) | TP53HSD17B1HSD17B2MEN1ALDH1A1 | |
| SCHEMBL147294 | 0.76 | HSD17B1 (0.49) | TP53HSD17B1HSD17B2MEN1ALDH1A1 | |
| SCHEMBL12529379 | 0.73 | HSD17B1 (0.47) | TP53HSD17B1HSD17B2MEN1ALDH1A1 | |
| SCHEMBL4138621 | 0.73 | HSD17B1 (0.59) | TP53HSD17B1HSD17B2MEN1ALDH1A1 | |
| SCHEMBL29668098 | 0.73 | ALDH1A1 (0.50) | TP53HSD17B1HSD17B2MEN1ALDH1A1 | |
| SCHEMBL9429775 | 0.73 | ALDH1A1 (0.50) | TP53HSD17B1HSD17B2MEN1ALDH1A1 |
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-2008057775-A2 | HETEROCYCLIC AMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2008-05-15 | — | — | WO | disclosed |