Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | IDO1 | P14902 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 3/20 | 0.47 |
| ▸ | LMNA | P02545 | 3/20 | 0.46 |
| ▸ | USP2 | O75604 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | PSMB1 | P20618 | 1/20 | 0.44 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.44 |
| ▸ | F10 | P00742 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 3/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL29930198 | 0.82 | IDO1 (0.53) | ALDH1A1SMN1; SMN2IDO1MAPTLMNA | |
| SCHEMBL20786908 | 0.81 | ITGB3 (0.51) | KDM4EALDH1A1MAPTKMT2APSMB1 | |
| SCHEMBL20808938 | 0.80 | PSMB1 (0.48) | KDM4EALDH1A1CYP3A4CYP2C19MAPT | |
| SCHEMBL20786929 | 0.76 | PSMB1 (0.57) | KDM4EALDH1A1MAPTLMNAKMT2A | |
| SCHEMBL20786915 | 0.76 | PSMB1 (0.48) | KDM4EALDH1A1MAPTLMNAPSMB1 | |
| SCHEMBL20786895 | 0.74 | PSMB1 (0.61) | KDM4EALDH1A1MAPTKMT2AMEN1 | |
| SCHEMBL20786879 | 0.74 | TNF (0.51) | KDM4EALDH1A1LMNAKMT2AMEN1 | |
| SCHEMBL20809182 | 0.74 | PSMB1 (0.41) | KDM4EALDH1A1MAPTKMT2AMEN1 | |
| SCHEMBL1500208 | 0.73 | PSMB1 (0.43) | KDM4EMAPTLMNAKMT2AMEN1 | |
| SCHEMBL1500397 | 0.72 | HTR2C (0.46) | KDM4EPSMB1PSMB5 |
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-3453707-B1 | BENZAZEPINE DERIVATIVE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF | SHANGHAI DE NOVO PHARMATECH CO LTD (CN) | 2022-02-16 | — | — | EP | disclosed |
| EP-3453707-A1 | BENZAZEPINE DERIVATIVE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF | Shanghai de Novo Pharmatech Co., Ltd. (CN) | 2019-03-13 | — | — | EP | disclosed |