Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TPMT | P51580 | 1/20 | 0.52 |
| ▸ | CA1 | P00915 | 2/20 | 0.44 |
| ▸ | CA2 | P00918 | 2/20 | 0.44 |
| ▸ | CES2 | O00748 | 4/20 | 0.43 |
| ▸ | CES1 | P23141 | 3/20 | 0.43 |
| ▸ | ITGA1 | P56199 | 1/20 | 0.42 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.40 |
| ▸ | GSK3B | P49841 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | DAO | P14920 | 1/20 | 0.39 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.39 |
| ▸ | APP | P05067 | 1/20 | 0.37 |
| ▸ | F2 | P00734 | 1/20 | 0.36 |
| ▸ | F10 | P00742 | 1/20 | 0.36 |
| ▸ | F12 | P00748 | 1/20 | 0.36 |
| ▸ | F7 | P08709 | 1/20 | 0.36 |
| ▸ | F3 | P13726 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL4083603 | 0.88 | TPMT (0.55) | TPMTCA1CA2PDPK1GSK3B | |
| SCHEMBL12331160 | 0.83 | TPMT (0.52) | TPMTCA1CA2CES2CES1 | |
| SCHEMBL143 | 0.82 | CES1 (0.53) | CA1CA2CES2CES1TSHR | |
| SCHEMBL28629872 | 0.79 | MEN1 (0.54) | TPMTCA1CA2CES2CES1 | |
| SCHEMBL2479840 | 0.79 | ALDH1A1 (0.70) | TPMTCA1CA2CES2CES1 | |
| SCHEMBL2336841 | 0.79 | CES2 (0.75) | TPMTCA1CA2CES2CES1 | |
| Charcoal, Activated SCHEMBL30423229 | 0.78 | CES1 (0.50) | CA1CA2CES2CES1TSHR | |
| Methane SCHEMBL29155195 | 0.78 | CES1 (0.50) | CA1CA2CES2CES1TSHR | |
| Bromide SCHEMBL28972076 | 0.78 | CES1 (0.50) | CA1CA2CES2CES1TSHR | |
| SCHEMBL28911317 | 0.78 | CES1 (0.50) | CA1CA2CES2CES1TSHR |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2393806-A1 | INHIBITORS OF JUN N-TERMINAL KINASE | Elan Pharmaceuticals Inc. (US) | 2011-12-14 | — | — | EP | disclosed |
| WO-2010091310-A1 | INHIBITORS OF JUN N-TERMINAL KINASE | ELAN PHARMACEUTICALS, INC. (US) | 2010-08-12 | — | — | WO | disclosed |
| EP-1960413-A2 | MACROLIDES DERIVATIVES AS ANTIBACTERIAL AGENTS | Ranbaxy Laboratories Limited (IN) | 2008-08-27 | — | — | EP | disclosed |
| EP-1797043-A1 | 4-(PHENYLMETHYL AND SUBSTITUTED PHENYLMETHYL)-IMIDAZOLE-2-THIONES ACTING AS SPECIFIC ALPHA2 ADRENERGIC AGONISTS | Allergan, Inc. (US) | 2007-06-20 | — | — | EP | disclosed |
| WO-2007060618-A2 | MACROLIDES DERIVATIVES AS ANTIBACTERIAL AGENTS | RANBAXY LABORATORIES LIMITED (IN) | 2007-05-31 | — | — | WO | disclosed |
| WO-2006036480-A1 | 4-(PHENYLMETHYL AND SUBSTITUTED PHENYLMETHYL)-IMIDAZOLE-2-THIONES ACTING AS SPECIFIC ALPHA2 ADRENERGIC AGONISTS | ALLERGAN, INC. (US) | 2006-04-06 | — | — | WO | disclosed |
| CN-1285828-A | Imidazoylalkyl substituted with a five, six or seven membered heterocyclic ring containing one nitrogen atom | SCHERING CORP (US) | 2001-02-28 | — | — | CN | disclosed |