Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 3/20 | 0.41 |
| ▸ | MAPT | P10636 | 5/20 | 0.35 |
| ▸ | TP53 | P04637 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 4/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | APAF1 | O14727 | 1/20 | 0.33 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.33 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.33 |
| ▸ | HK1 | P19367 | 1/20 | 0.33 |
| ▸ | GALK1 | P51570 | 1/20 | 0.33 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL30377821 | 1.00 | CYP19A1 (0.41) | CYP19A1MAPTTP53NPC1RAB9A | |
| SCHEMBL30495554 | 0.83 | CYP19A1 (0.37) | CYP19A1MAPTTP53NPC1RAB9A | |
| SCHEMBL30495534 | 0.72 | NR3C1 (0.30) | — | |
| SCHEMBL10521141 | 0.70 | CYP19A1 (0.57) | CYP19A1ALDH1A1KMT2AMEN1KDM4E | |
| SCHEMBL14650969 | 0.69 | CYP19A1 (0.45) | CYP19A1MAPTTP53NPC1RAB9A | |
| SCHEMBL3880710 | 0.68 | CYP19A1 (0.44) | CYP19A1MAPTTP53NPC1RAB9A | |
| SCHEMBL19565614 | 0.66 | ADRA1A (0.47) | ALDH1A1KMT2AMEN1HTR1AADRA2A | |
| SCHEMBL6004098 | 0.65 | NOS1 (0.36) | MAPTLMNAALDH1A1KMT2AMEN1 | |
| SCHEMBL22430326 | 0.63 | PARP1 (0.37) | MAPTNPC1RAB9ASMN1; SMN2LMNA | |
| SCHEMBL24109389 | 0.61 | LMNA (0.41) | CYP19A1MAPTSMN1; SMN2LMNAALDH1A1 |
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-112584832-A | Non-muscle myosin II inhibitors for substance use relapse | 斯克里普斯研究学院 | 2021-03-30 | — | — | CN | disclosed |
| EP-3529249-A1 | WATER-SOLUBLE MYOSIN 2 INHIBITORS FOR THE TREATMENT OF NEUROLOGICAL, NEUROPATHIC OR PSYCHIATRIC DISEASES | Paris Sciences et Lettres - Quartier Latin (FR) | 2019-08-28 | — | — | EP | disclosed |
| WO-2017129782-A1 | WATER-SOLUBLE MYOSIN 2 INHIBITORS FOR THE TREATMENT OF NEUROLOGICAL, NEUROPATHIC OR PSYCHIATRIC DISEASES | PARIS SCIENCES ET LETTRES - QUARTIER LATIN (FR) | 2017-08-03 | — | — | WO | disclosed |