Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ENPP2 | Q13822 | 1/20 | 0.52 |
| ▸ | NOS1 | P29475 | 6/20 | 0.50 |
| ▸ | NOS2 | P35228 | 6/20 | 0.50 |
| ▸ | NOS3 | P29474 | 4/20 | 0.50 |
| ▸ | LOXL2 | Q9Y4K0 | 3/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.50 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | PNMT | P11086 | 1/20 | 0.47 |
| ▸ | GLS | O94925 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL10339219 | 0.91 | CA2 (0.54) | ALDH1A1NFKB1CA2KDM4E | |
| SCHEMBL28307894 | 0.85 | ENPP2 (0.54) | ENPP2NOS1NOS2NOS3LOXL2 | |
| SCHEMBL28031264 | 0.83 | PRSS1 (0.50) | ENPP2NOS1NOS2NOS3ALDH1A1 | |
| SCHEMBL581770 | 0.83 | ENPP2 (0.52) | ENPP2NOS1NOS2NOS3LOXL2 | |
| SCHEMBL31346922 | 0.83 | PRSS1 (0.50) | ENPP2NOS1NOS2NOS3ALDH1A1 | |
| SCHEMBL21728869 | 0.83 | AKR1B1 (0.58) | NFKB1CA2KDM4E | |
| SCHEMBL3803115 | 0.83 | AKR1B1 (0.58) | ENPP2NOS1NOS2NOS3LOXL2 | |
| SCHEMBL4242578 | 0.82 | CA2 (0.67) | LOXL2CA2 | |
| Bicarbonate SCHEMBL31055574 | 0.82 | LOXL2 (0.62) | ENPP2NOS1NOS2NOS3LOXL2 | |
| Hydrochloric Acid SCHEMBL3761585 | 0.82 | AKR1B1 (0.56) | ENPP2NOS1NOS2NOS3LOXL2 |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102731499-A | Lactam compounds and their use as pharmaceuticals | INCYTE CORP | 2012-10-17 | — | — | CN | claimed |
| CN-101098856-A | Lactam compounds and their use as pharmaceuticals | INCYTE SAN DIEGO INC (US) | 2008-01-02 | — | — | CN | claimed |
| EP-2782570-B1 | HETEROCYCLIC INHIBITORS OF GLUTAMINASE | CALITHERA BIOSCIENCES INC (US) | 2019-09-18 | — | — | EP | disclosed |
| CN-109265451-A | Butyrylcholinesterasselective selective inhibitors and preparation method thereof and purposes | 中国药科大学 | 2019-01-25 | — | — | CN | disclosed |
| CN-109180578-A | A kind of preparation method of bosutinib | 山东创新药物研发有限公司 | 2019-01-11 | — | — | CN | disclosed |
| WO-2018039442-A1 | TREATMENT OF CANCER WITH INHIBITORS OF GLUTAMINASE | CALITHERA BIOSCIENCES, INC. (US) | 2018-03-01 | — | — | WO | disclosed |
| WO-2016164401-A1 | TREATMENT OF LUNG CANCER WITH INHIBITORS OF GLUTAMINASE | CALITHERA BIOSCIENCES, INC. (US) | 2016-10-13 | — | — | WO | disclosed |
| WO-2016160980-A1 | METHODS OF ADMINISTERING GLUTAMINASE INHIBITORS | CALITHERA BIOSCIENCES, INC. (US) | 2016-10-06 | — | — | WO | disclosed |
| CN-104936954-A | compounds and methods of use thereof | AGIOS PHARMACEUTICALS INC | 2015-09-23 | — | — | CN | disclosed |
| WO-2013078123-A1 | HETEROCYCLIC INHIBITORS OF GLUTAMINASE | CALITHERA BIOSCIENCES INC. (US) | 2013-05-30 | — | — | WO | disclosed |
| CN-103025725-A | Heterocyclic compounds | ASTELLAS PHARMA INC | 2013-04-03 | — | — | CN | disclosed |
| CN-102731499-A | Lactam compounds and their use as pharmaceuticals | INCYTE CORP | 2012-10-17 | — | — | CN | disclosed |
| CN-101098856-A | Lactam compounds and their use as pharmaceuticals | INCYTE SAN DIEGO INC (US) | 2008-01-02 | — | — | CN | disclosed |
| EP-0765879-B1 | 13-Substituted milbemycin 5-oxime derivatives, their preparation and their use against insects and other pests | SANKYO CO (JP) | 2001-02-14 | — | — | EP | disclosed |
| US-5861429-A | MITICIDES AND ANTHELMINTICS | SANKYO COMPANY, LIMITED (JP) | 1999-01-19 | — | — | US | disclosed |
| EP-0765879-A1 | 13-Substituted milbemycin 5-oxime derivatives, their preparation and their use against insects and other pests | SANKYO COMPANY LIMITED (JP) | 1997-04-02 | — | — | EP | disclosed |