Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 10/20 | 0.51 |
| ▸ | CXCR4 | P61073 | 2/20 | 0.50 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | MLNR | O43193 | 1/20 | 0.44 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.44 |
| ▸ | GMNN | O75496 | 1/20 | 0.44 |
| ▸ | USP2 | O75604 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.44 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL6614322 | 0.99 | CCR5 (0.52) | CCR5CXCR4OPRM1MEN1NPC1 | |
| SCHEMBL6611611 | 0.99 | CCR5 (0.52) | CCR5CXCR4OPRM1MEN1NPC1 | |
| SCHEMBL6614708 | 0.97 | CCR5 (0.47) | CCR5CXCR4OPRM1MEN1NPC1 | |
| SCHEMBL6612337 | 0.92 | LMNA (0.48) | CCR5CXCR4OPRM1MEN1NPC1 | |
| SCHEMBL6612763 | 0.89 | CCR5 (0.52) | CCR5CXCR4OPRM1LMNACYP2D6 | |
| SCHEMBL6610245 | 0.88 | CCR3 (0.51) | CCR5CXCR4OPRM1OPRD1OPRK1 | |
| SCHEMBL6608842 | 0.88 | CCR5 (0.53) | CCR5CXCR4SIGMAR1 | |
| SCHEMBL7483160 | 0.87 | CCR5 (0.52) | CCR5CXCR4SIGMAR1 | |
| SCHEMBL6615585 | 0.87 | CCR5 (0.52) | CCR5CXCR4SIGMAR1 | |
| SCHEMBL6615208 | 0.86 | CCR5 (0.61) | CCR5CXCR4OPRM1SIGMAR1 |
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-1236726-B1 | TRIAZASPIRO 5.5]UNDECANE DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT | ONO PHARMACEUTICAL CO (JP) | 2004-12-01 | — | — | EP | disclosed |
| EP-1236726-A1 | TRIAZASPIRO 5.5]UNDECANE DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT | ONO PHARMACEUTICAL CO., LTD. (JP) | 2002-09-04 | — | — | EP | disclosed |