Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN2B | Q13224 | 2/20 | 0.46 |
| ▸ | ITGB3 | P05106 | 2/20 | 0.45 |
| ▸ | ITGA2B | P08514 | 2/20 | 0.45 |
| ▸ | PKM | P14618 | 2/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | NAMPT | P43490 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | DPP4 | P27487 | 1/20 | 0.42 |
| ▸ | ITGAV | P06756 | 1/20 | 0.42 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 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 | |
|---|---|---|---|---|
| SCHEMBL782771 | 0.85 | GPR119 (0.50) | ITGB3ITGA2BNAMPTKMT2A | |
| SCHEMBL3935992 | 0.78 | GRIN2B (0.47) | GRIN2BITGB3ITGA2BPKMNPC1 | |
| SCHEMBL29129911 | 0.77 | ITGB3 (0.59) | ITGB3ITGA2BPKMNPC1RAB9A | |
| SCHEMBL28570403 | 0.77 | ITGB3 (0.59) | ITGB3ITGA2BPKMNPC1RAB9A | |
| SCHEMBL4977339 | 0.77 | NPC1 (0.47) | PKMNPC1RAB9AKDM4EKMT2A | |
| SCHEMBL28989369 | 0.75 | CHRNB2 (0.50) | GRIN2BCYP1A2CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL10650116 | 0.74 | CYP1A2 (0.47) | PKMNPC1RAB9ACYP1A2CYP2C9 | |
| SCHEMBL4612556 | 0.73 | USP2 (0.47) | NPC1RAB9AHPGDNAMPTALDH1A1 | |
| SCHEMBL15021499 | 0.73 | ULK1 (0.48) | — | |
| SCHEMBL3768246 | 0.72 | TRPV1 (0.60) | GRIN2BPKMNPC1RAB9ANAMPT |
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 |
|---|---|---|---|---|---|---|---|
| EP-2044038-A2 | NOVEL PIPERAZINES, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREOF | Cornerstone Therapeutics Inc. (US) | 2009-04-08 | — | — | EP | disclosed |
| WO-2007146066-A2 | NOVEL PIPERAZINES, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREOF | CRITICAL THERAPEUTICS, INC. (US) | 2007-12-21 | — | — | WO | disclosed |