Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AVPR1A | P37288 | 1/20 | 0.53 |
| ▸ | CCR5 | P51681 | 2/20 | 0.46 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | PTGER2 | P43116 | 1/20 | 0.41 |
| ▸ | PTGDR | Q13258 | 1/20 | 0.41 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.41 |
| ▸ | TACR1 | P25103 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL2934172 | 0.87 | CYP2C9 (0.53) | MEN1KMT2ACYP2C9TACR1ALDH1A1 | |
| SCHEMBL2941843 | 0.86 | CYP2C9 (0.45) | AVPR1ACYP2C9TACR1ALDH1A1KDM4E | |
| SCHEMBL2938363 | 0.86 | CYP2C9 (0.45) | AVPR1ACCR5CHRM2CYP2C9TACR1 | |
| SCHEMBL2934834 | 0.83 | NPC1 (0.48) | ALDH1A1LMNA | |
| SCHEMBL1809243 | 0.82 | AVPR1A (0.50) | AVPR1ACCR5CHRM2MEN1KMT2A | |
| SCHEMBL2941530 | 0.82 | HPGD (0.43) | CHRM2MEN1KMT2AALDH1A1LMNA | |
| SCHEMBL2932813 | 0.80 | MEN1 (0.43) | MEN1KMT2AALDH1A1LMNAKDM4E | |
| SCHEMBL5670552 | 0.80 | AVPR1A (0.56) | AVPR1ACCR5CHRM2MEN1KMT2A | |
| SCHEMBL2938492 | 0.79 | CHRNA4 (0.41) | CCR5CHRM2CYP2C9ALDH1A1 | |
| SCHEMBL2934783 | 0.79 | CCR5 (0.40) | CCR5MEN1KMT2APTGDR2ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1730147-B1 | SUBSTITUTED 1,4,8-TRIAZASPIRO[4,5]DECAN-2-ON COMPOUNDS FOR USE IN THE TREATMENT OF OBESITY | GRUENENTHAL GMBH (DE) | 2010-02-03 | — | — | EP | claimed |