Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.58 |
| ▸ | BACE1 | P56817 | 1/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 3/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 3/20 | 0.46 |
| ▸ | NPFFR1 | Q9GZQ6 | 1/20 | 0.46 |
| ▸ | NPFFR2 | Q9Y5X5 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.45 |
| ▸ | HPGD | P15428 | 3/20 | 0.45 |
| ▸ | ACHE | P22303 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.43 |
| ▸ | NCF1 | P14598 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL3086826 | 0.81 | CYP1A2 (0.58) | CYP1A2BACE1KDM4EALDH1A1L3MBTL1 | |
| SCHEMBL18024104 | 0.81 | CYP1A2 (0.58) | CYP1A2BACE1KDM4EALDH1A1L3MBTL1 | |
| SCHEMBL3085385 | 0.81 | CYP1A2 (0.58) | CYP1A2BACE1KDM4EALDH1A1L3MBTL1 | |
| SCHEMBL3295785 | 0.79 | ALDH1A1 (0.52) | KDM4EALDH1A1L3MBTL1LMNAMAPT | |
| SCHEMBL17165889 | 0.78 | KDM4E (0.50) | CYP1A2KDM4EALDH1A1L3MBTL1LMNA | |
| SCHEMBL18585567 | 0.78 | KDM4E (0.50) | CYP1A2BACE1KDM4EALDH1A1L3MBTL1 | |
| SCHEMBL18024098 | 0.77 | CYP1A2 (0.53) | CYP1A2BACE1KDM4EALDH1A1L3MBTL1 | |
| SCHEMBL28739907 | 0.77 | SMN1; SMN2 (0.57) | KDM4EALDH1A1LMNAMAPTPOLB | |
| SCHEMBL28806160 | 0.76 | ACACA (0.50) | KDM4EALDH1A1L3MBTL1LMNAMAPT | |
| SCHEMBL18289955 | 0.76 | L3MBTL1 (0.47) | CYP1A2KDM4EALDH1A1L3MBTL1MAPT |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111511731-B | Olefin compounds as modulators of the farnesol X receptor | 百时美施贵宝公司 | 2023-05-23 | — | — | CN | claimed |
| CN-112390755-B | Heteroaryl method for amine | 中国科学院理化技术研究所 | 2024-08-02 | — | — | CN | disclosed |
| CN-113754631-B | Heteroaryl method of indole | 中国科学院理化技术研究所 | 2022-08-30 | — | — | CN | disclosed |
| CN-110256342-B | Synthetic method of 2-cyano quinoline derivative | 河南省科学院化学研究所有限公司 | 2022-06-07 | — | — | CN | disclosed |
| CN-113754631-A | Heteroaryl method of indole | 中国科学院理化技术研究所 | 2021-12-07 | — | — | CN | disclosed |
| CN-112390755-A | Method for heteroarylation of amine | 中国科学院理化技术研究所 | 2021-02-23 | — | — | CN | disclosed |
| WO-2020058290-A1 | DRUG CONJUGATE COMPRISING QUINOLINE DERIVATIVES | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) | 2020-03-26 | — | — | WO | disclosed |
| CN-110256342-A | A kind of synthetic method of 2- cyano-quinoline derivatives | 河南省科学院化学研究所有限公司 | 2019-09-20 | — | — | CN | disclosed |
| CN-101139342-A | Substituted triazole compound and synthesis method thereof | NANJING UNIVERSITY OF TECHNOLOGY (CN) | 2008-03-12 | — | — | CN | disclosed |