Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.73 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.57 |
| ▸ | MAOA | P21397 | 1/20 | 0.57 |
| ▸ | MAOB | P27338 | 1/20 | 0.57 |
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | GFER | P55789 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.46 |
| ▸ | PELI1 | Q96FA3 | 1/20 | 0.44 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.43 |
| ▸ | KDM1A | O60341 | 3/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL31480914 | 1.00 | NPSR1 (0.73) | NPSR1CYP19A1MAOAMAOBNPC1 | |
| SCHEMBL4398128 | 0.88 | NPSR1 (0.55) | NPSR1MAOBMAPTCYP1A2CYP2C9 | |
| SCHEMBL29619510 | 0.86 | NPSR1 (0.76) | NPSR1CYP19A1MAOAMAOBNPC1 | |
| SCHEMBL30791063 | 0.85 | NPSR1 (1.00) | NPSR1CYP19A1MAOAMAOBNPC1 | |
| SCHEMBL29777960 | 0.85 | NPSR1 (1.00) | NPSR1CYP19A1MAOAMAOBNPC1 | |
| SCHEMBL1000884 | 0.85 | NPSR1 (1.00) | NPSR1CYP19A1MAOAMAOBNPC1 | |
| SCHEMBL1003575 | 0.85 | NPSR1 (1.00) | NPSR1CYP19A1MAOAMAOBNPC1 | |
| SCHEMBL1000885 | 0.85 | NPSR1 (1.00) | NPSR1CYP19A1MAOAMAOBNPC1 | |
| SCHEMBL28693379 | 0.83 | NPSR1 (0.71) | NPSR1CYP19A1MAOAMAOBNPC1 | |
| SCHEMBL14588764 | 0.83 | NPSR1 (0.71) | NPSR1CYP19A1MAOAMAOBNPC1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3102571-A1 | SUBSTITUTED PYRIMIDINES USEFUL AS EGFR-T790M KINASE INHIBITORS | Jiangsu Medolution Ltd. (CN) | 2016-12-14 | — | — | EP | disclosed |
| WO-2015117547-A1 | SUBSTITUTED PYRIMIDINES USEFUL AS EGFR-T790M KINASE INHIBITORS | JIANGSU MEDOLUTION LIMITED (CN) | 2015-08-13 | — | — | WO | disclosed |
| US-5009701-A | Herbicides | BASF AKTIENGESELLSCHAFT (DE) | 1991-04-23 | — | — | US | disclosed |