Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.51 |
| ▸ | DRD4 | P21917 | 3/20 | 0.49 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | ACHE | P22303 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | CAPN1 | P07384 | 1/20 | 0.42 |
| ▸ | CTSB | P07858 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL4003425 | 0.87 | KMT2A (0.45) | LMNAHPGDMEN1POLBKMT2A | |
| SCHEMBL3999620 | 0.87 | MAPK1 (0.46) | TSHRLMNAHPGDMEN1POLB | |
| SCHEMBL3997334 | 0.85 | MGLL (0.47) | TSHRHPGDMEN1KMT2AALDH1A1 | |
| SCHEMBL4001386 | 0.84 | MEN1 (0.42) | TSHRLMNAMEN1KMT2A | |
| SCHEMBL5666405 | 0.83 | CYP3A4 (0.58) | LMNAHPGDPOLBUSP2ALDH1A1 | |
| SCHEMBL3997343 | 0.83 | NAMPT (0.42) | TSHRLMNAMEN1KMT2AUSP2 | |
| SCHEMBL4000176 | 0.82 | CA1 (0.59) | CA12CA1CA2CA7CA9 | |
| SCHEMBL5670552 | 0.82 | AVPR1A (0.56) | LMNAMEN1KMT2AALDH1A1 | |
| SCHEMBL5666367 | 0.81 | ALDH1A1 (0.53) | MEN1POLBKMT2AALDH1A1GAA | |
| SCHEMBL1810855 | 0.81 | NPC1 (0.52) | NPC1DRD4TSHRLMNARAB9A |
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 |
|---|---|---|---|---|---|---|---|
| EP-1730147-A1 | SUBSTITUTED 1,4,8-TRIAZASPIRO[4,5]DECAN-2-ON COMPOUNDS FOR USE IN THE TREATMENT OF OBESITY | Grünenthal GmbH (DE) | 2006-12-13 | — | — | EP | disclosed |
| WO-2005095402-A1 | SUBSTITUTED 1,4,8-TRIAZASPIRO[4.5]DECAN-2-ON COMPOUNDS FOR USE IN THE TREATMENT OF OBESITY | Grünenthal GmbH (DE) | 2005-10-13 | — | — | WO | disclosed |