Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 1/20 | 0.53 |
| ▸ | GNAI3 | P08754 | 3/20 | 0.42 |
| ▸ | GNAO1 | P09471 | 3/20 | 0.42 |
| ▸ | GNAI1 | P63096 | 3/20 | 0.42 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.38 |
| ▸ | KDM1A | O60341 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | PIM1 | P11309 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.33 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.33 |
| ▸ | CDC42BPB | Q9Y5S2 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Pyrimidine SCHEMBL8031985 | 0.86 | GNAI3 (0.51) | KCNH2GNAI3GNAO1GNAI1SOS1 | |
| SCHEMBL1198152 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL6629106 | 0.80 | KCNH2 (0.71) | KCNH2GNAI3GNAO1GNAI1SOS1 | |
| Pyrimidine SCHEMBL8028462 | 0.79 | KDM1A (0.40) | KCNH2SOS1KDM1ACYP1A2ALDH1A1 | |
| SCHEMBL19121999 | 0.75 | KCNH2 (0.63) | KCNH2GNAI3GNAO1GNAI1SOS1 | |
| SCHEMBL13766535 | 0.73 | KCNH2 (0.61) | KCNH2GNAI3GNAO1GNAI1SOS1 | |
| Fluorobenzene SCHEMBL27564280 | 0.72 | KCNH2 (0.50) | KCNH2GNAI3GNAO1GNAI1SOS1 | |
| SCHEMBL1782773 | 0.70 | — | — | |
| SCHEMBL2012943 | 0.70 | — | — | |
| SCHEMBL1781000 | 0.70 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6498161-B1 | TREATING INFECTION BY HIV; DELAYING OF THE ONSET OF AIDS; ASTHMA, ALLERGIC RHINITIS, DERMATITIS, CONJUNCTIVITIS, ATHEROSCLEROSIS OR RHEUMATOID ARTHRITIS | MERCK & CO., INC. | 2002-12-24 | — | — | US | disclosed |
| WO-2000059498-A1 | PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO., INC. (US) | 2000-10-12 | — | — | WO | disclosed |