Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LRRK2 | Q5S007 | 3/20 | 0.53 |
| ▸ | IDO1 | P14902 | 3/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.51 |
| ▸ | GAA | P10253 | 2/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | TTK | P33981 | 2/20 | 0.51 |
| ▸ | ALPL | P05186 | 1/20 | 0.51 |
| ▸ | HPGD | P15428 | 1/20 | 0.51 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | ITK | Q08881 | 3/20 | 0.43 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.43 |
| ▸ | FLT1 | P17948 | 1/20 | 0.43 |
| ▸ | AURKA | O14965 | 1/20 | 0.43 |
| ▸ | MAP2K4 | P45985 | 2/20 | 0.42 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL1672674 | 0.74 | IDO1 (0.78) | LRRK2IDO1KDM4EGAAALDH1A1 | |
| SCHEMBL1651151 | 0.73 | LRRK2 (0.56) | LRRK2IDO1KDM4EGAAALDH1A1 | |
| SCHEMBL31346909 | 0.72 | LRRK2 (0.54) | LRRK2IDO1KDM4EGAAALDH1A1 | |
| SCHEMBL4888531 | 0.71 | LRRK2 (0.53) | LRRK2IDO1KDM4EGAAALDH1A1 | |
| SCHEMBL8559737 | 0.71 | MAPT (0.51) | KDM4EALDH1A1CYP1A2CYP2D6CYP3A4 | |
| SCHEMBL22345400 | 0.70 | LRRK2 (0.56) | LRRK2IDO1KDM4EGAAALDH1A1 | |
| SCHEMBL29544476 | 0.70 | LRRK2 (0.56) | LRRK2IDO1KDM4EGAAALDH1A1 | |
| SCHEMBL34465160 | 0.69 | LRRK2 (0.59) | LRRK2IDO1KDM4EGAAALDH1A1 | |
| SCHEMBL4310603 | 0.69 | LRRK2 (0.59) | LRRK2IDO1KDM4EGAAALDH1A1 | |
| SCHEMBL1328336 | 0.69 | LRRK2 (1.00) | LRRK2IDO1KDM4EGAAALDH1A1 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1117731-A | Heteroaromatic compounds with antipsychotic activity | WELLCOME FOUND (GB) | 1996-02-28 | — | — | CN | claimed |
| CN-102365280-A | Novel adenosine receptor ligands and uses thereof | DOMAIN THERAPEUTICS | 2012-02-29 | — | — | CN | disclosed |
| CN-102317273-A | (4-TERT-BUTYLPIPERAZIN-2-YL)(PIPERAZIN-1-YL)METHANONE-N-CARBOXAMIDE DERIVATIVES | ASTRAZENECA AB | 2012-01-11 | — | — | CN | disclosed |
| CN-102307857-A | High penetration compositions and their use | CHONGXI YU | 2012-01-04 | — | — | CN | disclosed |
| CN-101659657-A | Quinoline substituted by cyan and preparation method and applications thereof | FOUNDER GROUP PKUCARE PHARMACE | 2010-03-03 | — | — | CN | disclosed |
| CN-101659658-A | Quinoline substituted by cyan | FOUNDER GROUP PKUCARE PHARMACE | 2010-03-03 | — | — | CN | disclosed |
| US-6723735-B1 | TREATMENT OR PREVENTION OF ANXIETY | MERCK SHARP & DOHME LTD. | 2004-04-20 | — | — | US | disclosed |
| CN-1265098-A | Heterocyclic derivatives which inhibit factor XA | ZENECA LTD (GB) | 2000-08-30 | — | — | CN | disclosed |
| CN-1117731-A | Heteroaromatic compounds with antipsychotic activity | WELLCOME FOUND (GB) | 1996-02-28 | — | — | CN | disclosed |
| US-4331596-A | Arylazoarylazo-substituted azo, azomethine 1:2 chromium complex dyes | CIBA-GEIGY CORPORATION (US) | 1982-05-25 | — | — | US | disclosed |