Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 2/20 | 0.46 |
| ▸ | HTR2A | P28223 | 2/20 | 0.46 |
| ▸ | HTR2C | P28335 | 2/20 | 0.46 |
| ▸ | HTR2B | P41595 | 2/20 | 0.46 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.46 |
| ▸ | ACHE | P22303 | 4/20 | 0.45 |
| ▸ | BCHE | P06276 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.44 |
| ▸ | HTR1A | P08908 | 1/20 | 0.44 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.44 |
| ▸ | DRD1 | P21728 | 1/20 | 0.44 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.44 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.44 |
| ▸ | DRD3 | P35462 | 1/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.44 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL7736003 | 0.93 | MEN1 (0.48) | DRD2HTR2AHTR2CHTR2BSIGMAR1 | |
| SCHEMBL7723274 | 0.88 | ACHE (0.59) | SIGMAR1ACHEBCHEKMT2A | |
| SCHEMBL7732470 | 0.85 | SIGMAR1 (0.48) | DRD2HTR2AHTR2BSIGMAR1ACHE | |
| SCHEMBL19994599 | 0.82 | MAOB (0.51) | HTR2AHTR2CKCNH2 | |
| SCHEMBL5453020 | 0.80 | NPC1 (0.60) | DRD2HTR2AHTR2CHTR2BSIGMAR1 | |
| SCHEMBL7493900 | 0.78 | KMT2A (0.53) | KMT2AMEN1 | |
| SCHEMBL5764628 | 0.78 | HTR2A (0.43) | HTR2AHTR2CKMT2ANPC1RAB9A | |
| SCHEMBL9247297 | 0.77 | KMT2A (0.52) | DRD2HTR2AHTR2CHTR2BSIGMAR1 | |
| SCHEMBL4324206 | 0.76 | — | — | |
| SCHEMBL11396531 | 0.74 | HSD11B1 (0.62) | ACHEBCHEKMT2ANPC1RAB9A |
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-6399619-B1 | PREVENTION AND TREATMENT OF AIDS AND VIRAL INFECTION BY HIV | MERCK & CO., INC. | 2002-06-04 | — | — | US | disclosed |