Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 3/20 | 0.52 |
| ▸ | HSP90AB1 | P08238 | 2/20 | 0.52 |
| ▸ | HSP90B1 | P14625 | 1/20 | 0.52 |
| ▸ | MEN1 | O00255 | 3/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | FAAH | O00519 | 2/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | CHKA | P35790 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL31503222 | 1.00 | HSP90AA1 (0.52) | HSP90AA1HSP90AB1HSP90B1MEN1KMT2A | |
| SCHEMBL25216919 | 0.93 | HSP90AB1 (0.58) | HSP90AA1HSP90AB1HSP90B1MEN1KMT2A | |
| SCHEMBL25317220 | 0.93 | HSP90AB1 (0.54) | HSP90AA1HSP90AB1HSP90B1MEN1KMT2A | |
| SCHEMBL384471 | 0.90 | HSP90AB1 (0.64) | HSP90AA1HSP90AB1HSP90B1MEN1KMT2A | |
| SCHEMBL383809 | 0.89 | HSP90AB1 (0.43) | HSP90AA1HSP90AB1LMNAHDAC6 | |
| SCHEMBL31363033 | 0.89 | HSP90AB1 (0.55) | HSP90AA1HSP90AB1HSP90B1MEN1KMT2A | |
| SCHEMBL25260723 | 0.87 | HSP90AA1 (0.54) | HSP90AA1HSP90AB1HSP90B1MEN1KMT2A | |
| SCHEMBL16582202 | 0.87 | HSP90AB1 (0.53) | HSP90AA1HSP90AB1HSP90B1MEN1KMT2A | |
| SCHEMBL30829338 | 0.87 | HSP90AB1 (0.53) | HSP90AA1HSP90AB1HSP90B1MEN1KMT2A | |
| SCHEMBL31108361 | 0.87 | HSP90AA1 (0.49) | HSP90AA1HSP90AB1HSP90B1MEN1KMT2A |
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-2023140629-A1 | 2,7-SUBSTITUTED PYRROLO[2,1-F][1,2,4]TRIAZINE COMPOUND HAVING PROTEIN KINASE INHIBITORY ACTIVITY | 닥터아이앤비(주) | 2023-07-27 | — | — | WO | disclosed |