Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FAAH | O00519 | 2/20 | 0.68 |
| ▸ | CA9 | Q16790 | 4/20 | 0.61 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.60 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.60 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.53 |
| ▸ | ITGAV | P06756 | 1/20 | 0.53 |
| ▸ | PTGES | O14684 | 1/20 | 0.52 |
| ▸ | PSMB8 | P28062 | 1/20 | 0.52 |
| ▸ | LMNA | P02545 | 2/20 | 0.51 |
| ▸ | AURKA | O14965 | 1/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.51 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | PPARA | Q07869 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL19481521 | 0.81 | FAAH (1.00) | FAAHCA9S1PR1S1PR3ITGB3 | |
| SCHEMBL17309448 | 0.81 | FAAH (1.00) | FAAHCA9S1PR1S1PR3ITGB3 | |
| SCHEMBL27861589 | 0.79 | FAAH (0.70) | FAAHCA9S1PR1S1PR3ITGB3 | |
| SCHEMBL17309284 | 0.78 | FAAH (1.00) | FAAHCA9S1PR1S1PR3ITGB3 | |
| SCHEMBL19485936 | 0.78 | FAAH (1.00) | FAAHCA9S1PR1S1PR3ITGB3 | |
| SCHEMBL27308725 | 0.77 | CRHBP (0.54) | S1PR1S1PR3TDP1MEN1KMT2A | |
| SCHEMBL12677490 | 0.75 | S1PR3 (1.00) | S1PR1S1PR3 | |
| SCHEMBL17309275 | 0.75 | PSMB8 (0.52) | FAAHCA9S1PR1S1PR3PSMB8 | |
| SCHEMBL31321760 | 0.74 | ALDH1A1 (0.58) | FAAHCA9S1PR1S1PR3ITGB3 | |
| SCHEMBL29453030 | 0.74 | FAAH (0.49) | FAAHCA9S1PR1S1PR3ITGB3 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114031576-A | N-substituted thiazole heterocyclic compound and application thereof | 国科大杭州高等研究院 | 2022-02-11 | — | — | CN | claimed |
| WO-2022149605-A1 | PROPHYLACTIC OR THERAPEUTIC AGENT FOR SEVERE PULMONARY HYPERTENSION, REFRACTORY PULMONARY HYPERTENSION, OR DRUG-INDUCED PULMONARY HYPERTENSION | 国立研究開発法人国立循環器病研究センター | 2022-07-14 | — | — | WO | disclosed |
| CN-114031576-A | N-substituted thiazole heterocyclic compound and application thereof | 国科大杭州高等研究院 | 2022-02-11 | — | — | CN | disclosed |