Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP2 | Q9UGN5 | 2/20 | 0.47 |
| ▸ | TNKS | O95271 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 3/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.46 |
| ▸ | PKM | P14618 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.45 |
| ▸ | USP2 | O75604 | 1/20 | 0.45 |
| ▸ | PARP1 | P09874 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7541212 | 1.00 | PARP2 (0.47) | PARP2TNKSLMNAKDM4EPKM | |
| SCHEMBL7085306 | 0.88 | MAPK1 (0.53) | LMNAKDM4EPKMALDH1A1RXFP1 | |
| SCHEMBL7088260 | 0.88 | MAPK1 (0.53) | LMNAKDM4EPKMALDH1A1RXFP1 | |
| SCHEMBL7085312 | 0.88 | MAPK1 (0.53) | LMNAKDM4EPKMALDH1A1RXFP1 | |
| SCHEMBL7543801 | 0.80 | PARP1 (0.55) | PARP2LMNAKDM4EPKMALDH1A1 | |
| SCHEMBL7562860 | 0.79 | ALDH1A1 (0.48) | LMNAKDM4EPKMALDH1A1RXFP1 | |
| SCHEMBL7562851 | 0.79 | ALDH1A1 (0.48) | LMNAKDM4EPKMALDH1A1RXFP1 | |
| SCHEMBL7695627 | 0.78 | IDO1 (0.48) | LMNAKDM4ESMN1; SMN2MAPTRAB9A | |
| SCHEMBL7695624 | 0.78 | IDO1 (0.48) | LMNAKDM4ESMN1; SMN2MAPTRAB9A | |
| SCHEMBL7692413 | 0.78 | POLB (0.54) | LMNAKMT2ASMN1; SMN2RAB9A |
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-6380205-B1 | QUINAZOLINE THROUGH A C1-C4ALKYL, C1- C4ALKENYL, C1-C4ALKYNYL, C1-C4ALKOXY, AMINO, AMINOC1-C4ALKYL, HYDROXYC1-C4ALKYL, CARBONYL, CYCLOC3-C6ALKYL OR AMINOCARBONYL CHAIN, USEFUL FOR TREATMENT OF THE PAIN | MERCK & CO., INC. | 2002-04-30 | — | — | US | disclosed |