Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | SMYD3 | Q9H7B4 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 5/20 | 0.39 |
| ▸ | NPC1 | O15118 | 4/20 | 0.39 |
| ▸ | XIAP | P98170 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | MMP2 | P08253 | 1/20 | 0.38 |
| ▸ | MMP8 | P22894 | 1/20 | 0.38 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.37 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.37 |
| ▸ | TAS1R2 | Q8TE23 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | BLM | P54132 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL22629584 | 1.00 | EPHX1 (0.50) | EPHX1KMT2ALMNAMEN1SMYD3 | |
| SCHEMBL15906216 | 1.00 | EPHX1 (0.50) | EPHX1KMT2ALMNAMEN1SMYD3 | |
| SCHEMBL22987448 | 0.92 | — | — | |
| SCHEMBL2156256 | 0.92 | — | — | |
| SCHEMBL3562819 | 0.92 | — | — | |
| Hydrochloric Acid SCHEMBL22979117 | 0.90 | SMYD3 (0.47) | EPHX1KMT2ALMNAMEN1SMYD3 | |
| Hydrochloric Acid SCHEMBL22979118 | 0.90 | SMYD3 (0.47) | EPHX1KMT2ALMNAMEN1SMYD3 | |
| SCHEMBL2735524 | 0.85 | KMT2A (0.48) | EPHX1KMT2ALMNAMEN1SMYD3 | |
| SCHEMBL14655011 | 0.85 | KMT2A (0.48) | EPHX1KMT2ALMNAMEN1SMYD3 | |
| SCHEMBL13457996 | 0.84 | EPHX2 (0.54) | KMT2ALMNASMYD3XIAPBLM |
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-8791257-B2 | Substituted pyrrolotriazines as protein kinase inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2014-07-29 | — | — | US | disclosed |