Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.40 |
| ▸ | RAB9A | P51151 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | BAZ2B | Q9UIF8 | 1/20 | 0.39 |
| ▸ | BAZ2A | Q9UIF9 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | EGFR | P00533 | 1/20 | 0.38 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.38 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.38 |
| ▸ | CASP1 | P29466 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL12283595 | 0.86 | KDM4E (0.40) | NPC1RAB9AKDM4ESMN1; SMN2HPGD | |
| SCHEMBL14651913 | 0.85 | NPC1 (0.40) | NPC1RAB9AKDM4EBAZ2BBAZ2A | |
| SCHEMBL1226304 | 0.74 | MAP2K1 (0.54) | EGFRERBB2 | |
| SCHEMBL16646777 | 0.74 | EGFR (0.46) | RAB9ASMN1; SMN2HPGDEGFRERBB2 | |
| SCHEMBL12283712 | 0.73 | GAA (0.40) | KDM4ESMN1; SMN2LMNAHPGDHTT | |
| SCHEMBL12365653 | 0.73 | MAPK1 (0.38) | KDM4EHPGDKMT2AALDH1A1MAPK1 | |
| SCHEMBL22902514 | 0.72 | NPC1 (0.41) | NPC1RAB9AKDM4ESMN1; SMN2LMNA | |
| SCHEMBL29523025 | 0.72 | NPC1 (0.41) | NPC1RAB9AKDM4ESMN1; SMN2LMNA | |
| SCHEMBL4046095 | 0.72 | EGFR (0.60) | EGFRERBB2 | |
| SCHEMBL4046229 | 0.71 | KDR (0.48) | EGFRERBB2 |
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 |