Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 1/20 | 0.44 |
| ▸ | CTSK | P43235 | 1/20 | 0.44 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.42 |
| ▸ | MCHR1 | Q99705 | 3/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.40 |
| ▸ | S1PR1 | P21453 | 3/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | NAMPT | P43490 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | BCHE | P06276 | 3/20 | 0.39 |
| ▸ | ACHE | P22303 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | GPR183 | P32249 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL873095 | 0.90 | HDAC8 (0.38) | CTSSCTSKHDAC8MCHR1MAOA | |
| SCHEMBL845354 | 0.85 | POLB (0.57) | POLBKMT2ALMNANPSR1ALDH1A1 | |
| SCHEMBL846148 | 0.85 | POLB (0.51) | CTSSCTSKHDAC8CYP2D6S1PR1 | |
| SCHEMBL845778 | 0.82 | CTSS (0.43) | CTSSCTSKHDAC8CYP2D6S1PR1 | |
| SCHEMBL845439 | 0.81 | ALDH1A1 (0.38) | MCHR1MAOAMAOBNAMPTPOLB | |
| SCHEMBL845370 | 0.80 | PIK3CA (0.37) | MCHR1NAMPTPOLBKMT2AMMP2 | |
| SCHEMBL845777 | 0.78 | POLB (0.44) | CTSSCTSKHDAC8CYP2D6S1PR1 | |
| SCHEMBL845226 | 0.78 | ALDH1A1 (0.56) | LMNAALDH1A1CYP2C9 | |
| SCHEMBL845205 | 0.78 | ALDH1A1 (0.56) | LMNAALDH1A1CYP2C9 | |
| SCHEMBL15116912 | 0.78 | ALDH1A1 (0.56) | LMNAALDH1A1CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| US-8143288-B2 | Inhibitors of HCV replication | BRISTOL-MYERS SQUIBB COMPANY (US) | 2012-03-27 | — | — | US | disclosed |
| US-8143288-B2 | Inhibitors of HCV replication | BRISTOL-MYERS SQUIBB COMPANY (US) | 2012-03-27 | — | — | US | disclosed |