Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | HTR5A | P47898 | 4/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.35 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.35 |
| ▸ | BCHE | P06276 | 1/20 | 0.35 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL2139850 | 0.85 | F7 (0.33) | NPC1ALDH1A1MAPTRAB9AHTR5A | |
| SCHEMBL2137370 | 0.84 | PRKAB2 (0.38) | HTR2AMAPTMEN1ALOX15CYP2C19 | |
| SCHEMBL2135630 | 0.81 | F7 (0.37) | ALDH1A1KMT2AKDM1A | |
| SCHEMBL2135149 | 0.81 | CTSD (0.35) | HTR2AALDH1A1MAPTRAB9AMEN1 | |
| SCHEMBL2138126 | 0.80 | PRKAB2 (0.47) | KDM1A | |
| SCHEMBL2137710 | 0.75 | AR (0.42) | ALDH1A1MAPTRAB9ACYP3A4MEN1 | |
| SCHEMBL7631876 | 0.74 | KDM1A (0.41) | HTR2AHTR5AKMT2AKDM1A | |
| SCHEMBL7759529 | 0.72 | BRD4 (0.44) | ALDH1A1RAB9AHTR5AKDM1A | |
| SCHEMBL9469119 | 0.69 | AR (0.54) | MAPTCYP3A4MEN1CYP2D6ALOX15 | |
| SCHEMBL2136187 | 0.67 | PRKAB2 (0.38) | HTR2AMAPTMEN1ALOX15CYP2C19 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1896466-A1 | N-LINKED HETEROCYCLIC ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS | Bristol-Myers Squibb Company (US) | 2008-03-12 | — | — | EP | disclosed |
| WO-2007002637-A1 | N-LINKED HETEROCYCLIC ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-01-04 | — | — | WO | disclosed |