Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.52 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.52 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.49 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.49 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.49 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.47 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.47 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.47 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.47 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.47 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.47 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.47 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.47 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.47 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.47 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL16781355 | 0.91 | LMNA (0.53) | CYP3A4CYP2D6CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL20852025 | 0.85 | CYP3A4 (0.50) | CYP3A4CYP2D6CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL1311776 | 0.81 | LMNA (0.53) | CYP3A4CYP2D6CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL13614092 | 0.81 | ADRB1 (0.57) | CYP3A4CYP2D6CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL10510492 | 0.80 | CYP3A4 (0.56) | CYP3A4CYP2D6CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL12310548 | 0.79 | CYP3A4 (0.59) | CYP3A4CYP2D6CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL255498 | 0.79 | MAOB (0.62) | CYP3A4CYP2D6CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL19840885 | 0.78 | ADRB1 (0.42) | CYP3A4CYP2D6CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL6896030 | 0.77 | ADRB1 (0.56) | CYP3A4CYP2D6CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL13428831 | 0.77 | LMNA (0.49) | CYP3A4CYP2D6CYP1A2CYP2C9CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1432700-B1 | SPIRO-HYDANTOIN COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS | BRISTOL MYERS SQUIBB CO (US) | 2009-11-04 | — | — | EP | disclosed |