Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.59 |
| ▸ | EPHX1 | P07099 | 4/20 | 0.46 |
| ▸ | TP53 | P04637 | 3/20 | 0.43 |
| ▸ | LMNA | P02545 | 3/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | MITF | O75030 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | NLRP1 | Q9C000 | 1/20 | 0.43 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | MLNR | O43193 | 1/20 | 0.41 |
| ▸ | ABCB11 | O95342 | 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 | |
|---|---|---|---|---|
| SCHEMBL4728813 | 0.98 | ALDH1A1 (0.55) | ALDH1A1EPHX1TP53LMNAMEN1 | |
| SCHEMBL21245055 | 0.93 | ALDH1A1 (0.50) | ALDH1A1EPHX1TP53LMNAMEN1 | |
| SCHEMBL9180285 | 0.87 | ALDH1A1 (0.43) | ALDH1A1EPHX1TP53LMNAMEN1 | |
| Hydrochloric Acid SCHEMBL8845279 | 0.85 | ALDH1A1 (0.42) | ALDH1A1TP53LMNAMEN1KMT2A | |
| SCHEMBL2398883 | 0.82 | ALDH1A1 (0.55) | ALDH1A1EPHX1TP53LMNAMEN1 | |
| SCHEMBL7397703 | 0.81 | ALDH1A1 (0.46) | ALDH1A1EPHX1TP53LMNAMEN1 | |
| SCHEMBL28480892 | 0.81 | ALDH1A1 (0.77) | ALDH1A1EPHX1TP53LMNAMEN1 | |
| SCHEMBL3149068 | 0.79 | EPHX1 (0.52) | ALDH1A1EPHX1TP53LMNAMEN1 | |
| SCHEMBL3864310 | 0.79 | ALDH1A1 (0.57) | ALDH1A1EPHX1TP53LMNAMAPT | |
| SCHEMBL2398177 | 0.79 | ALDH1A1 (0.52) | ALDH1A1EPHX1TP53SLC22A6 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117843619-A | Modulators of cystic fibrosis transmembrane conductance regulator, pharmaceutical compositions, methods of treatment, and methods for preparing the modulators | 弗特克斯药品有限公司 | 2024-04-09 | — | — | CN | disclosed |
| CN-110267948-B | Modulators of cystic fibrosis transmembrane conductance regulator, pharmaceutical compositions, methods of treatment, and methods for preparing the modulators | 弗特克斯药品有限公司 | 2023-12-08 | — | — | CN | disclosed |
| CN-113943278-B | Immunomodulator | 成都先导药物开发股份有限公司 | 2023-08-29 | — | — | CN | disclosed |
| EP-0772590-B1 | THROMBIN INHIBITORS | MERCK & CO INC (US) | 2002-10-09 | — | — | EP | disclosed |
| US-5714485-A | Piperidine and hexahydropyridazine thrombin inhibitors | MERCK & CO., INC. (US) | 1998-02-03 | — | — | US | disclosed |
| US-5510369-A | ANTICOAGULANTS | MERCK & CO., INC. (US) | 1996-04-23 | — | — | US | disclosed |
| US-4788010-A | Amino substituted benzenepropanols | E. R. SQUIBB & SONS, INC. (US) | 1988-11-29 | — | — | US | disclosed |