Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | NPC1 | O15118 | 3/20 | 0.42 |
| ▸ | GLA | P06280 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | CASP1 | P29466 | 1/20 | 0.42 |
| ▸ | CASP7 | P55210 | 1/20 | 0.42 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.41 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.41 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.41 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.41 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8968885 | 0.81 | PARP1 (0.42) | PARP1KDM4EALDH1A1NPC1GLA | |
| SCHEMBL8968396 | 0.81 | HTR6 (0.47) | PARP1KDM4EALDH1A1NPC1GLA | |
| SCHEMBL8968971 | 0.81 | PARP1 (0.42) | PARP1KDM4EALDH1A1NPC1GLA | |
| SCHEMBL8969697 | 0.79 | HTR6 (0.46) | PARP1KDM4EALDH1A1NPC1GLA | |
| SCHEMBL8969983 | 0.78 | HSD17B10 (0.42) | PARP1KDM4EALDH1A1NPC1GLA | |
| SCHEMBL8969078 | 0.75 | HTR6 (0.42) | PARP1KDM4EALDH1A1NPC1GLA | |
| SCHEMBL8968440 | 0.75 | KDM4E (0.44) | KDM4EALDH1A1NPC1GLAGAA | |
| SCHEMBL8968450 | 0.74 | HTR6 (0.44) | PARP1KDM4EALDH1A1NPC1GLA | |
| SCHEMBL8969938 | 0.71 | KDM4E (0.46) | KDM4EALDH1A1NPC1GLAGAA | |
| SCHEMBL8968964 | 0.71 | KDM4E (0.43) | KDM4EALDH1A1NPC1GLAGAA |
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-5486512-A | LEARNING ENHANCEMENT | WARNER-LAMBERT COMPANY (US) | 1996-01-23 | — | — | US | disclosed |
| WO-1993003034-A1 | QUINAZOLINE DERIVATIVES AS ACETYLCHOLINESTERASE INHIBITORS | WARNER-LAMBERT COMPANY (US) | 1993-02-18 | — | — | WO | disclosed |