Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.48 |
| ▸ | DRD4 | P21917 | 3/20 | 0.47 |
| ▸ | ACHE | P22303 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.42 |
| ▸ | TPSAB1 | Q15661 | 1/20 | 0.41 |
| ▸ | TPSD1 | Q9BZJ3 | 1/20 | 0.41 |
| ▸ | TPSG1 | Q9NRR2 | 1/20 | 0.41 |
| ▸ | CAPN1 | P07384 | 1/20 | 0.40 |
| ▸ | CTSB | P07858 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA7 | P43166 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL1807471 | 0.91 | NPC1 (0.54) | NPC1DRD4ACHETSHRLMNA | |
| Hydrochloric Acid SCHEMBL1811368 | 0.91 | NPC1 (0.53) | NPC1DRD4ACHETSHRLMNA | |
| SCHEMBL2942653 | 0.88 | HPGD (0.42) | TSHRLMNAHPGDALDH1A1GAA | |
| SCHEMBL2941530 | 0.87 | HPGD (0.43) | TSHRLMNAHPGDALDH1A1NPSR1 | |
| SCHEMBL2940005 | 0.85 | MGLL (0.43) | TSHRHPGDALDH1A1GAAHTT | |
| SCHEMBL2943001 | 0.84 | MEN1 (0.39) | TSHRGAA | |
| SCHEMBL2940506 | 0.84 | CYP3A4 (0.40) | TSHRUSP2ALDH1A1GAA | |
| SCHEMBL2942520 | 0.84 | CYP3A4 (0.58) | LMNAHPGDUSP2ALDH1A1GAA | |
| SCHEMBL2940806 | 0.83 | CA1 (0.56) | CA12CA1CA2CA7CA9 | |
| SCHEMBL2942498 | 0.83 | AVPR1A (0.53) | LMNAALDH1A1 |
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 |