Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 4/20 | 0.67 |
| ▸ | NPC1 | O15118 | 3/20 | 0.67 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.67 |
| ▸ | MEN1 | O00255 | 2/20 | 0.67 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.53 |
| ▸ | POLB | P06746 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 4/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | TP53 | P04637 | 2/20 | 0.48 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | ATM | Q13315 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL17664673 | 0.78 | CNR2 (0.44) | KMT2AMEN1LMNAALDH1A1CYP1A2 | |
| SCHEMBL17645873 | 0.77 | BTK (0.47) | RAB9ANPC1KMT2AMEN1SMN1; SMN2 | |
| SCHEMBL17660256 | 0.75 | PDK2 (0.44) | KMT2ASMN1; SMN2POLBPTGS2 | |
| SCHEMBL16744528 | 0.74 | CNR2 (0.66) | RAB9ANPC1KMT2AMEN1SMN1; SMN2 | |
| SCHEMBL2908895 | 0.74 | MAPT (0.62) | RAB9ANPC1KMT2AMEN1SMN1; SMN2 | |
| SCHEMBL17664684 | 0.73 | BTK (0.46) | RAB9ANPC1KMT2AMEN1SMN1; SMN2 | |
| SCHEMBL1021435 | 0.73 | RARB (0.56) | ALDH1A1CYP3A4PTGS2 | |
| SCHEMBL12652053 | 0.73 | RAB9A (0.55) | RAB9ANPC1KMT2AMEN1SMN1; SMN2 | |
| SCHEMBL1018779 | 0.72 | RARB (0.58) | RAB9ANPC1KMT2AMEN1SMN1; SMN2 | |
| SCHEMBL1018488 | 0.72 | RARB (0.45) | PTGS2 |
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-8476430-B2 | Fused heterocyclic compounds useful as kinase modulators | BRISTOL-MYERS SQUIBB COMPANY (US) | 2013-07-02 | — | — | US | disclosed |