Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.68 |
| ▸ | RAB9A | P51151 | 4/20 | 0.68 |
| ▸ | CES2 | O00748 | 1/20 | 0.67 |
| ▸ | CES1 | P23141 | 1/20 | 0.67 |
| ▸ | PARP1 | P09874 | 1/20 | 0.62 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.62 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.62 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.62 |
| ▸ | MEN1 | O00255 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.53 |
| ▸ | ACHE | P22303 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 2/20 | 0.51 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
| ▸ | PDE4A | P27815 | 1/20 | 0.51 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.51 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.51 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.51 |
| ▸ | ESR1 | P03372 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL27512587 | 0.84 | NPC1 (0.66) | NPC1RAB9ACES2CES1PARP1 | |
| SCHEMBL29589944 | 0.83 | CES2 (0.74) | NPC1RAB9ACES2CES1PARP1 | |
| SCHEMBL30854918 | 0.83 | NPC1 (0.63) | NPC1RAB9ACES2CES1PARP1 | |
| SCHEMBL28126653 | 0.83 | CES2 (0.74) | NPC1RAB9ACES2CES1PARP1 | |
| SCHEMBL4971524 | 0.83 | PRSS1 (0.69) | NPC1RAB9ACES2CES1PARP1 | |
| SCHEMBL1790008 | 0.83 | NPC1 (0.63) | NPC1RAB9ACES2CES1PARP1 | |
| SCHEMBL2770950 | 0.83 | NPC1 (0.63) | NPC1RAB9ACES2CES1PARP1 | |
| SCHEMBL52445 | 0.83 | CES2 (0.74) | NPC1RAB9ACES2CES1PARP1 | |
| SCHEMBL29090493 | 0.82 | DRD2 (0.50) | NPC1RAB9ACES2CES1PRSS1 | |
| SCHEMBL9519194 | 0.81 | NPC1 (0.61) | NPC1RAB9ACES2CES1PARP1 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2900645-A1 | 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION | Bayer CropScience AG (DE) | 2015-08-05 | — | — | EP | disclosed |
| CN-104640852-A | Dna-pk inhibitors | VERTEX PHARMA | 2015-05-20 | — | — | CN | disclosed |
| EP-1131290-B1 | PIPERIDINE CCR-3 RECEPTOR ANTAGONISTS | HOFFMANN LA ROCHE (CH) | 2008-02-20 | — | — | EP | disclosed |
| US-6984637-B2 | Cyclic amine derivatives-CCR-3 receptor antagonists | SYNTEX (U.S.A.) LLC (US) | 2006-01-10 | — | — | US | disclosed |
| US-6770650-B2 | CHEMOKINE RECEPTOR (CCR) ANTAGONISTS SUCH AS N-(1(S)-(4-(3,4-DICHLOROBENZYL)PIPERAZIN-1-YLMETHYL)-2-METHYLPROPYL)-4 -METHYLBENZAMIDE DIHYDROCHLORIDE SALT FOR TREATMENT OF ASTHMA | SYNTEX (U.S.A.) LLC | 2004-08-03 | — | — | US | disclosed |
| US-6683074-B1 | PYRROLIDINYL, PIPERAZINYL AND AZEPINYL DERIVATIVES; INFLAMMATORY OR ALLERGIC DISEASES | SYNTEX (U.S.A.) LLC | 2004-01-27 | — | — | US | disclosed |
| US-6342509-B1 | ANTIASTHMATICS, ANTIHISTAMINES OR BRONCHODIALATORS | SYNTEX (U.S.A.) LLC | 2002-01-29 | — | — | US | disclosed |
| US-6339087-B1 | FOR THERAPY OF INFLAMMATORY OR ALLERGIC DISEASES ARE SELECTED FROM ASTHMA, ALLERGIC RHINITIS, HYPERSENSITIVITY LUNG DISEASES, HYPERSENSITIVITY PNEUMONITIS, EOSINOPHILIC PNEUMONIAS, INFLAMMATORY BOWEL DISEASES, PSORIASIS, DERMATITIS | SYNTEX (U.S.A.) LLC | 2002-01-15 | — | — | US | disclosed |
| US-6323223-B1 | CCR-3 RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, METHODS FOR THEIR USE AND METHODS FOR PREPARING THESE COMPOUNDS. | SYNTEX (U.S.A.) LLC | 2001-11-27 | — | — | US | disclosed |