Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | CA4 | P22748 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.36 |
| ▸ | BRD4 | O60885 | 1/20 | 0.34 |
| ▸ | BRD2 | P25440 | 1/20 | 0.34 |
| ▸ | BRD3 | Q15059 | 1/20 | 0.34 |
| ▸ | BRDT | Q58F21 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.32 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL13176769 | 0.86 | HTT (0.47) | HTTCA1CA2CA4KMT2A | |
| SCHEMBL4898541 | 0.83 | CYP19A1 (0.41) | HTTCA1CA2CA4KMT2A | |
| SCHEMBL12464963 | 0.83 | CYP19A1 (0.41) | HTTCA1CA2CA4KMT2A | |
| SCHEMBL12859646 | 0.83 | CYP19A1 (0.41) | HTTCA1CA2CA4KMT2A | |
| SCHEMBL11884817 | 0.79 | CYP19A1 (0.41) | HTTCA1CA2CA4KMT2A | |
| SCHEMBL16053799 | 0.75 | HTT (0.38) | HTTCA1CA2CA4KMT2A | |
| SCHEMBL1237573 | 0.69 | HTT (0.51) | HTTCA1CA2CA4KMT2A | |
| SCHEMBL17898398 | 0.69 | HTT (0.48) | HTTCA1CA2CA4KMT2A | |
| SCHEMBL5622628 | 0.68 | TRPA1 (0.34) | HTTTRPA1 | |
| SCHEMBL15564163 | 0.68 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-101171254-A | Fused thieno[2,3-B]pyridine and thiazolo[5,4-B]pyridine compounds for inhibiting KSP kinesin activity | SCHERING CORP (US) | 2008-04-30 | — | — | CN | disclosed |