Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | NPY1R | P25929 | 1/20 | 0.42 |
| ▸ | NPY2R | P49146 | 1/20 | 0.42 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.41 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.40 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.38 |
| ▸ | MBNL1 | Q9NR56 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL12970077 | 0.85 | KMT2A (0.42) | BACE1CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL12827021 | 0.80 | TSHR (0.51) | BACE1TSHRNPY1RNPY2RPDE3B | |
| SCHEMBL3835603 | 0.80 | CYP1A2 (0.50) | BACE1CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL28827441 | 0.77 | BACE1 (0.44) | BACE1CYP1A2TSHRNPY1RNPY2R | |
| SCHEMBL20660680 | 0.77 | BACE1 (0.44) | BACE1CYP1A2TSHRNPY1RNPY2R | |
| SCHEMBL12327106 | 0.77 | TTR (0.47) | CYP1A2CYP3A4CYP2D6CYP2C19PDE3B | |
| SCHEMBL1128599 | 0.77 | BACE1 (0.44) | BACE1CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL27746521 | 0.77 | TDP1 (0.58) | BACE1CYP1A2TSHRNPY1RNPY2R | |
| SCHEMBL17585452 | 0.77 | PDGFRB (0.49) | BACE1TSHRNPY1RNPY2RPDE10A | |
| SCHEMBL20061329 | 0.75 | BACE1 (0.47) | BACE1CYP1A2TSHRNPY1RNPY2R |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023211990-A1 | BICYCLIC HETEROCYCLIC AMIDE INHIBITORS OF NA V1.8 FOR THE TREATMENT OF PAIN | SITEONE THERAPEUTICS, INC. (US) | 2023-11-02 | — | — | WO | disclosed |
| WO-2012133607-A1 | PYRAZOLE COMPOUND | アステラス製薬株式会社 (JP) | 2012-10-04 | — | — | WO | disclosed |
| CN-102491969-A | Heteroaromatic quinoline compounds | PFIZER PROD INC | 2012-06-13 | — | — | CN | disclosed |
| CN-101098866-A | Heteroaromatic quinoline compounds and their use as pde10 inhibitors | PFIZER (US) | 2008-01-02 | — | — | CN | disclosed |
| US-5401751-A | Enzyme inhibitors for 5-lipoxygenase | ZENECA LIMITED (GB) | 1995-03-28 | — | — | US | disclosed |
| US-5236919-A | Inhibitorsof enzyme 5-lipoxygenase | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1993-08-17 | — | — | US | disclosed |
| US-5134148-A | Heterocycles for use as inhibitors of leukotrienes | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1992-07-28 | — | — | US | disclosed |
| US-5089495-A | Lipoxygenase inhibitors | IMPERIAL CHEMICAL INDUSTRIES PLC (FR) | 1992-02-18 | — | — | US | disclosed |
| EP-0385662-A2 | Heterocycles with inhibitory activity of 5-lipoxygenase | ZENECA LIMITED (GB) | 1990-09-05 | — | — | EP | disclosed |
| EP-0381375-A1 | Heterocyclic derivatives | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1990-08-08 | — | — | EP | disclosed |