Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.61 |
| ▸ | C1S | P09871 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | GLA | P06280 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.49 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | GAA | P10253 | 2/20 | 0.46 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.46 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.46 |
| ▸ | RELA | Q04206 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | MGAM | O43451 | 1/20 | 0.43 |
| ▸ | AMY1A | P0DUB6 | 1/20 | 0.43 |
| ▸ | SI | P14410 | 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 | |
|---|---|---|---|---|
| SCHEMBL8035900 | 0.88 | PARP1 (0.49) | PARP1C1SALDH1A1GLASMN1; SMN2 | |
| SCHEMBL7403811 | 0.84 | NR4A2 (0.62) | PARP1ALDH1A1GLASMN1; SMN2GAA | |
| SCHEMBL30666330 | 0.84 | NR4A2 (0.62) | PARP1ALDH1A1GLASMN1; SMN2GAA | |
| SCHEMBL1814265 | 0.82 | SMN1; SMN2 (0.56) | PARP1ALDH1A1GLASMN1; SMN2HPGD | |
| SCHEMBL3456365 | 0.81 | L3MBTL1 (0.57) | PARP1ALDH1A1GLASMN1; SMN2HPGD | |
| SCHEMBL4518276 | 0.80 | PARP1 (0.58) | PARP1C1SALDH1A1GLASMN1; SMN2 | |
| SCHEMBL3357671 | 0.80 | PARP1 (0.53) | PARP1C1SALDH1A1GLASMN1; SMN2 | |
| SCHEMBL14277039 | 0.80 | PARP1 (0.60) | PARP1ALDH1A1SMN1; SMN2HPGDF2 | |
| SCHEMBL31149717 | 0.79 | PARP1 (0.62) | PARP1C1SALDH1A1GLASMN1; SMN2 | |
| SCHEMBL1808868 | 0.79 | PARP1 (0.62) | PARP1C1SALDH1A1GLASMN1; SMN2 |
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-6133302-A | KYNURENINE-3-HYDROXYLASE ENZYME INHIBITORY ACTIVITY, AN ENZYME OF THE KYNURENINE (KYN) PATHWAY; COMPOUNDS SUCH AS 5-(3-(3-FLUOROPHENYL)-3-OXO-PROPYL)-1H-TETRAZOLE; FOR TREATMENT OF NEUROPATHOLOGICAL PROCESSES | PHARMACIA & UPJOHN SPA (IT) | 2000-10-17 | — | — | US | disclosed |