Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | KDR | P35968 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.38 |
| ▸ | CA12 | O43570 | 2/20 | 0.38 |
| ▸ | CA1 | P00915 | 2/20 | 0.38 |
| ▸ | CA2 | P00918 | 2/20 | 0.38 |
| ▸ | CA7 | P43166 | 2/20 | 0.38 |
| ▸ | CA9 | Q16790 | 2/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL12283328 | 0.86 | NPC1 (0.40) | KDM4ERAB9ANPC1HPGDPKM | |
| SCHEMBL12537743 | 0.84 | RAB9A (0.40) | KDM4ERAB9ANPC1HPGDPKM | |
| SCHEMBL12537617 | 0.82 | KDR (0.42) | KDM4ERAB9ANPC1HPGDPKM | |
| SCHEMBL12283712 | 0.74 | GAA (0.40) | KDM4EHPGDALDH1A1KMT2AL3MBTL1 | |
| SCHEMBL1227597 | 0.73 | MAP2K1 (0.55) | KDR | |
| SCHEMBL12283713 | 0.73 | AAK1 (0.48) | RAB9AHPGDKDRALDH1A1TSHR | |
| SCHEMBL14651913 | 0.70 | NPC1 (0.40) | KDM4ERAB9ANPC1HPGDPKM | |
| SCHEMBL4044082 | 0.70 | KDR (0.52) | KDR | |
| SCHEMBL12285417 | 0.70 | KDM4E (0.45) | KDM4ERAB9ANPC1HPGDHSD17B10 | |
| SCHEMBL9490199 | 0.69 | ALDH1A1 (0.51) | KDM4ERAB9ANPC1HPGDPKM |
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-2011123493-A1 | SUBSTITUTED PYRROLOTRIAZINES AS PROTEIN KINASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2011-10-06 | — | — | WO | disclosed |