Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 5/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.43 |
| ▸ | P2RX7 | Q99572 | 3/20 | 0.43 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.43 |
| ▸ | CACNA1A | O00555 | 2/20 | 0.43 |
| ▸ | CACNA2D1 | P54289 | 2/20 | 0.43 |
| ▸ | CACNB1 | Q02641 | 2/20 | 0.43 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.43 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.43 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.43 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL9149292 | 0.92 | P2RX7 (0.44) | CYP3A4CYP2C9CYP2C19CYP2D6KMT2A | |
| SCHEMBL9145246 | 0.91 | P2RX7 (0.47) | CYP3A4CYP2C9CYP2C19CYP2D6KMT2A | |
| SCHEMBL9146580 | 0.90 | CYP2D6 (0.46) | CYP3A4CYP2C9CYP2C19CYP2D6KMT2A | |
| SCHEMBL9146739 | 0.86 | CYP3A4 (0.45) | CYP3A4CYP2C9CYP2C19CYP2D6KMT2A | |
| Hydrochloric Acid SCHEMBL8989218 | 0.85 | CYP3A4 (0.44) | CYP3A4CYP2C9CYP2C19CYP2D6KMT2A | |
| SCHEMBL9423066 | 0.80 | CTSS (0.46) | CYP3A4CYP2C9CYP2C19CYP2D6KMT2A | |
| Hydrochloric Acid SCHEMBL8989178 | 0.77 | CTSS (0.42) | CYP3A4CYP2C9CYP2C19CYP2D6KMT2A | |
| SCHEMBL8989078 | 0.77 | CYP2D6 (0.48) | CYP3A4CYP2C9CYP2C19CYP2D6KMT2A | |
| Hydrochloric Acid SCHEMBL8989190 | 0.77 | CTSS (0.56) | CYP3A4CYP2C9CYP2C19CYP2D6KMT2A | |
| Hydrochloric Acid SCHEMBL8989075 | 0.75 | CTSS (0.46) | CYP3A4CYP2C9CYP2C19CYP2D6KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| US-5378847-A | Cyclization by forming a bond between carbon and nitrogen, reaction with formaldehyde and amine | SYNTEX PHARMACEUTICALS, LTD. (GB) | 1995-01-03 | — | — | US | disclosed |