Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.61 |
| ▸ | KIF11 | P52732 | 1/20 | 0.55 |
| ▸ | KDM1A | O60341 | 2/20 | 0.51 |
| ▸ | MAOA | P21397 | 2/20 | 0.51 |
| ▸ | MAOB | P27338 | 1/20 | 0.51 |
| ▸ | HPGD | P15428 | 3/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.50 |
| ▸ | HTT | P42858 | 2/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | FKBP1A | P62942 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.48 |
| ▸ | ACLY | P53396 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL3784731 | 0.95 | ALDH1A1 (0.55) | ALDH1A1KIF11KDM1AMAOAMAOB | |
| SCHEMBL26004327 | 0.87 | ALDH1A1 (0.48) | ALDH1A1KIF11KDM1AMAOAMAOB | |
| SCHEMBL30535131 | 0.86 | KDM1A (0.49) | ALDH1A1KIF11KDM1AMAOAMAOB | |
| SCHEMBL25352160 | 0.86 | KDM1A (0.49) | ALDH1A1KIF11KDM1AMAOAMAOB | |
| SCHEMBL26008035 | 0.82 | ALDH1A1 (0.44) | ALDH1A1KIF11KDM1AMAOAMAOB | |
| SCHEMBL5178749 | 0.81 | WDR5 (0.54) | ALDH1A1KIF11KDM1AMAOAMAOB | |
| SCHEMBL1120814 | 0.81 | ALDH1A1 (0.58) | ALDH1A1KIF11KDM1AMAOAMAOB | |
| SCHEMBL31561144 | 0.80 | KDM4E (0.46) | ALDH1A1KIF11KDM1AMAOAMAOB | |
| SCHEMBL25352438 | 0.80 | KDM4E (0.46) | ALDH1A1KIF11KDM1AMAOAMAOB | |
| SCHEMBL2317675 | 0.79 | PTGS1 (0.57) | ALDH1A1KIF11HTTSMN1; SMN2MEN1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111303146-A | 3-cyanopyridine compound, pharmaceutical composition containing same, preparation method and application thereof | 中国科学院上海药物研究所 | 2020-06-19 | — | — | CN | disclosed |
| WO-2020119590-A1 | 3-CYANOPYRIDINE COMPOUND, PHARMACEUTICAL COMPOSITION COMPRISING SAME, PREPARATION METHOD THEREFOR, AND USES THEREOF. | 中国科学院上海药物研究所 | 2020-06-18 | — | — | WO | disclosed |
| CN-105377837-B | N (heteroaryl) sulfamide derivative as S100 inhibitor | 活跃生物技术有限公司 | 2017-08-04 | — | — | CN | disclosed |
| US-4349378-A | Compounds useful as pesticides | FBC LIMITED (GB) | 1982-09-14 | — | — | US | disclosed |
| US-4309559-A | PLANT GROWTH REGULATORS AND ESPECIALLY FUNGICIDES OR HERBICIDES | FBC LIMITED (GB) | 1982-01-05 | — | — | US | disclosed |