Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | ATM | Q13315 | 2/20 | 0.33 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | FAAH | O00519 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | CCR6 | P51684 | 1/20 | 0.32 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.32 |
| ▸ | CNR1 | P21554 | 1/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL5325884 | 0.80 | ASAH1 (0.34) | CYP2C9 | |
| SCHEMBL7531915 | 0.80 | CA1 (0.33) | ALDH1A1LMNACA1CA2TDP1 | |
| Isobutylbenzene SCHEMBL27444301 | 0.79 | PSMB5 (0.49) | PSMB5 | |
| SCHEMBL27935173 | 0.78 | CYP2C9 (0.42) | CYP2C9MEN1KMT2AATMPSMB5 | |
| SCHEMBL258782 | 0.77 | FAAH (0.65) | MEN1KMT2AALDH1A1MAPK1FAAH | |
| SCHEMBL258407 | 0.77 | FAAH (0.65) | MEN1KMT2AALDH1A1MAPK1FAAH | |
| SCHEMBL258681 | 0.77 | FAAH (0.65) | MEN1KMT2AALDH1A1MAPK1FAAH | |
| SCHEMBL258663 | 0.77 | FAAH (0.65) | MEN1KMT2AALDH1A1MAPK1FAAH | |
| SCHEMBL258719 | 0.77 | FAAH (0.65) | MEN1KMT2AALDH1A1MAPK1FAAH | |
| SCHEMBL17344111 | 0.76 | CYP2C9 (0.43) | CYP2C9MEN1KMT2AATMALDH1A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115040523-A | Use of PI3K inhibitors in combination with estrogen receptor antagonists for the treatment of neoplastic diseases | 上海翰森生物医药科技有限公司 | 2022-09-13 | — | — | CN | disclosed |
| EP-0441445-B1 | Preparation of amides | SHELL INT RESEARCH (NL) | 1994-05-04 | — | — | EP | disclosed |
| US-5128475-A | PREPARATION OF AMIDES | SHELL OIL COMPANY (US) | 1992-07-07 | — | — | US | disclosed |
| EP-0441445-A2 | Preparation of amides | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1991-08-14 | — | — | EP | disclosed |