Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR3 | P49682 | 1/20 | 0.51 |
| ▸ | CCR5 | P51681 | 13/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | USP2 | O75604 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL6610912 | 0.89 | CXCR3 (0.56) | CXCR3CCR5ALDH1A1USP2MEN1 | |
| SCHEMBL6614901 | 0.89 | CCR5 (0.45) | CXCR3CCR5ALDH1A1USP2CYP2D6 | |
| SCHEMBL6612592 | 0.88 | CXCR3 (0.60) | CXCR3CCR5POLBCYP1A2CYP3A4 | |
| SCHEMBL6611373 | 0.87 | CCR5 (0.61) | CCR5CYP2D6CYP3A4CXCR4 | |
| SCHEMBL6612358 | 0.86 | KMT2A (0.46) | MEN1MAPTKMT2ACYP3A4GAA | |
| SCHEMBL6610993 | 0.85 | CXCR3 (0.54) | CXCR3CCR5CXCR4 | |
| SCHEMBL2085492 | 0.85 | CXCR3 (0.72) | CXCR3CCR5 | |
| SCHEMBL6611362 | 0.85 | CCR5 (0.53) | CXCR3CCR5ALDH1A1USP2MEN1 | |
| SCHEMBL6610536 | 0.84 | CCR5 (0.57) | CXCR3CCR5CXCR4 | |
| SCHEMBL6610643 | 0.83 | CCR5 (0.59) | CXCR3CCR5CXCR4 |
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 |