Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 6/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | RECQL | P46063 | 1/20 | 0.47 |
| ▸ | BLM | P54132 | 1/20 | 0.47 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.46 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.46 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.46 |
| ▸ | PLA2G10 | O15496 | 2/20 | 0.46 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.46 |
| ▸ | KDM1A | O60341 | 1/20 | 0.46 |
| ▸ | MAOA | P21397 | 1/20 | 0.46 |
| ▸ | MAOB | P27338 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL4987201 | 0.81 | MRGPRX4 (0.43) | PARP1POLBCYP3A4MAPTTSHR | |
| SCHEMBL8710710 | 0.80 | LOXL2 (0.59) | MAPTTSHRFOLH1 | |
| SCHEMBL8668550 | 0.80 | UNG (0.62) | FOLH1MEP1BUNG | |
| SCHEMBL7785229 | 0.78 | PARP1 (0.44) | PARP1POLBCYP3A4MAPTTSHR | |
| SCHEMBL28233593 | 0.78 | PARP1 (0.48) | PARP1POLBCYP3A4MAPTTSHR | |
| SCHEMBL4224616 | 0.78 | PLA2G2A (0.69) | PARP1POLBCYP3A4MAPTTSHR | |
| SCHEMBL10189495 | 0.78 | PARP1 (0.56) | PARP1POLBCYP3A4MAPTTSHR | |
| SCHEMBL27570899 | 0.77 | PARP1 (0.50) | PARP1PRSS1PRSS2PRSS3KDM1A | |
| SCHEMBL5881143 | 0.75 | PARP1 (0.53) | PARP1POLBCYP3A4MAPTTSHR | |
| SCHEMBL17672270 | 0.75 | PLA2G2A (0.59) | PARP1POLBCYP3A4MAPTTSHR |
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-5763469-A | Substituted cyclic ureas and derivatives thereof useful as retroviral protease inhibitors | THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) | 1998-06-09 | — | — | US | disclosed |