Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | ATR | Q13535 | 5/20 | 0.35 |
| ▸ | F10 | P00742 | 2/20 | 0.34 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.34 |
| ▸ | HSD17B13 | Q7Z5P4 | 1/20 | 0.34 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.34 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | EPHB3 | P54753 | 1/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL3663899 | 0.89 | MCL1 (0.38) | RAB9AATRF10ROCK2HSD17B13 | |
| SCHEMBL3721115 | 0.87 | GAA (0.38) | RAB9AATRF10ROCK2HSD17B13 | |
| SCHEMBL13745774 | 0.87 | HDAC3 (0.40) | ATRHDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL3721919 | 0.84 | TYK2 (0.41) | RAB9AATRF10ROCK2HSD17B13 | |
| SCHEMBL3729986 | 0.83 | TYK2 (0.44) | ATR | |
| SCHEMBL3720955 | 0.81 | TYK2 (0.38) | ATRF10 | |
| SCHEMBL13745067 | 0.81 | TYK2 (0.34) | RAB9AATRHSD17B13NUDT1SMN1; SMN2 | |
| SCHEMBL3722959 | 0.80 | TYK2 (0.33) | RAB9AATRROCK2NPC1SMN1; SMN2 | |
| SCHEMBL3774212 | 0.80 | ATR (0.38) | RAB9AATRNPC1SMN1; SMN2 | |
| SCHEMBL13745102 | 0.80 | GRM5 (0.40) | — |
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-2009100375-A1 | SUBSTITUTED IMIDAZOPYRIDAZINES USEFUL AS KINASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2009-08-13 | — | — | WO | disclosed |