Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | CYP1A1 | P04798 | 5/20 | 0.36 |
| ▸ | CYP1B1 | Q16678 | 5/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.34 |
| ▸ | CA1 | P00915 | 2/20 | 0.33 |
| ▸ | CA2 | P00918 | 2/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA7 | P43166 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL27689508 | 0.83 | ALDH1A1 (0.55) | ALDH1A1CYP1A1CYP1B1CYP3A4CA1 | |
| SCHEMBL309832 | 0.82 | ALDH1A1 (0.59) | ALDH1A1CYP1A1CYP1B1CYP3A4CA1 | |
| SCHEMBL202288 | 0.82 | ALDH1A1 (0.69) | ALDH1A1CYP1A1CYP1B1CYP3A4CA1 | |
| SCHEMBL41250 | 0.82 | ALDH1A1 (0.69) | ALDH1A1CYP1A1CYP1B1CYP3A4CA1 | |
| SCHEMBL2809096 | 0.82 | ALDH1A1 (0.59) | ALDH1A1CYP1A1CYP1B1CYP3A4CA1 | |
| SCHEMBL3966378 | 0.79 | ALDH1A1 (0.65) | ALDH1A1CYP1A1CYP1B1CYP3A4CA1 | |
| SCHEMBL2999328 | 0.79 | ALDH1A1 (0.65) | ALDH1A1CYP1A1CYP1B1CYP3A4CA1 | |
| SCHEMBL16958468 | 0.76 | — | — | |
| SCHEMBL16955481 | 0.76 | RORC (0.33) | ALDH1A1RAB9AKMT2ALMNASMN1; SMN2 | |
| SCHEMBL16957524 | 0.76 | NQO1 (0.41) | CYP3A4MEN1KMT2AHPGDLMNA |
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 18 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3994136-A1 | PYRROLO [2, 3-B] PYRAZINES AS HPK1 INHIBITOR AND THE USE THEREOF | BeiGene, Ltd. (KY) | 2022-05-11 | — | — | EP | disclosed |
| WO-2021032148-A1 | AMINOPYRAZINE COMPOUNDS AS HPK1 INHIBITOR AND THE USE THEREOF | BEIGENE, LTD. (KY) | 2021-02-25 | — | — | WO | disclosed |
| WO-2021000925-A1 | PYRROLO [2, 3-b] PYRAZINES AS HPK1 INHIBITOR AND THE USE THEREOF | BEIGENE, LTD. (KY) | 2021-01-07 | — | — | WO | disclosed |
| EP-2900645-A1 | 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION | Bayer CropScience AG (DE) | 2015-08-05 | — | — | EP | disclosed |
| EP-2259681-A1 | DUAL PHARMACOPHORES-PDE4-MUSCARINIC ANTAGONISTICS | Glaxo Group Limited (GB) | 2010-12-15 | — | — | EP | disclosed |
| EP-2249646-A1 | DUAL PHARMACOPHORES - PDE4-MUSCARINIC ANTAGONISTICS | Glaxo Group Limited (GB) | 2010-11-17 | — | — | EP | disclosed |
| EP-2249647-A1 | DUAL PHARMACOPHORES - PDE4-MUSCARINIC ANTAGONISTICS | Glaxo Group Limited (GB) | 2010-11-17 | — | — | EP | disclosed |
| EP-2249830-A1 | DUAL PHARMACOPHORES - PDE4-MUSCARINIC ANTAGONISTICS | Glaxo Group Limited (GB) | 2010-11-17 | — | — | EP | disclosed |
| EP-2247184-A1 | DUAL PHARMACOPHORES-PDE4-MUSCARINIC ANTAGONISTICS | Glaxo Group Limited (GB) | 2010-11-10 | — | — | EP | disclosed |
| WO-2009100170-A1 | DUAL PHARMACOPHORES - PDE4-MUSCARINIC ANTAGONISTICS | GLAXO GROUP LIMITED (GB) | 2009-08-13 | — | — | WO | disclosed |
| WO-2009100167-A1 | DUAL PHARMACOPHORES-PDE4-MUSCARINIC ANTAGONISTICS | GLAXO GROUP LIMITED (GB) | 2009-08-13 | — | — | WO | disclosed |
| WO-2009100168-A1 | DUAL PHARMACOPHORES - PDE4-MUSCARINIC ANTAGONISTICS | GLAXO GROUP LIMITED (GB) | 2009-08-13 | — | — | WO | disclosed |
| WO-2009100169-A1 | DUAL PHARMACOPHORES - PDE4-MUSCARINIC ANTAGONISTICS | GLAXO GROUP LIMITED (GB) | 2009-08-13 | — | — | WO | disclosed |
| WO-2009100166-A1 | DUAL PHARMACOPHORES-PDE4-MUSCARINIC ANTAGONISTICS | GLAXO GROUP LIMITED (GB) | 2009-08-13 | — | — | WO | disclosed |
| US-6476021-B1 | Compounds having cGMP-PDE inhibitory effect | MOCHIDA PHARMACEUTICAL CO., LTD. (JP) | 2002-11-05 | — | — | US | disclosed |
| CN-1284075-A | Novel compounds having CGMP-PDE inhibitory effect | MOCHIDA PHARM CO LTD (JP) | 2001-02-14 | — | — | CN | disclosed |
| EP-1048666-A1 | NOVEL COMPOUNDS HAVING cGMP-PDE INHIBITORY EFFECT | MOCHIDA PHARMACEUTICAL CO., LTD. (JP) | 2000-11-02 | — | — | EP | disclosed |
| US-4605747-A | FUNGICIDES; PLANT GROWTH REGULATORS | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1986-08-12 | — | — | US | disclosed |