Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB1 | P08183 | 1/20 | 0.53 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.49 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.49 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.49 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | BACE1 | P56817 | 1/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.43 |
| ▸ | WDR77 | Q9BQA1 | 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 | |
|---|---|---|---|---|
| SCHEMBL8332282 | 0.88 | ABCB1 (0.53) | ABCB1CHRM2CHRM4CHRM1CHRM3 | |
| SCHEMBL8380927 | 0.83 | ABCB1 (0.54) | ABCB1CHRM2CHRM4CHRM1CHRM3 | |
| SCHEMBL8380925 | 0.83 | ABCB1 (0.54) | ABCB1CHRM2CHRM4CHRM1CHRM3 | |
| SCHEMBL5400970 | 0.81 | CHRM1 (0.55) | ABCB1CHRM2CHRM4CHRM1CHRM3 | |
| SCHEMBL8431248 | 0.77 | ABCB1 (0.49) | ABCB1CHRM2CHRM4CHRM1CHRM3 | |
| SCHEMBL14593289 | 0.76 | ABCB1 (0.51) | ABCB1CHRM2CHRM4CHRM1CHRM3 | |
| SCHEMBL7095678 | 0.76 | CHRM2 (0.49) | ABCB1CHRM2CHRM4CHRM1CHRM3 | |
| SCHEMBL3860417 | 0.75 | CACNA2D1 (0.59) | CHRM2CHRM4CHRM1CHRM3TDP1 | |
| SCHEMBL1978087 | 0.74 | MEN1 (0.56) | ABCB1CHRM2CHRM4CHRM1CHRM3 | |
| SCHEMBL4013471 | 0.74 | KMT2A (0.67) | ALDH1A1KDM4EGPR119NPC1MAPT |
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-5981529-A | Substituted indolylpropyl-piperazine derivatives as 5-HT1D α agonists | MERCK SHARP & DOHME LIMITED (GB) | 1999-11-09 | — | — | US | disclosed |