Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATM | Q13315 | 1/20 | 0.56 |
| ▸ | CYP19A1 | P11511 | 7/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.46 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.46 |
| ▸ | XDH | P47989 | 1/20 | 0.45 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.45 |
| ▸ | CNR1 | P21554 | 1/20 | 0.45 |
| ▸ | CNR2 | P34972 | 1/20 | 0.45 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | AHR | P35869 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL6682176 | 0.86 | ATM (0.72) | ATMCYP1A2CYP3A4CYP2D6CYP2A6 | |
| SCHEMBL19741332 | 0.80 | CNR1 (0.50) | ATMCYP19A1CYP1A2MAP4K4CNR1 | |
| SCHEMBL7809471 | 0.77 | CYP19A1 (0.46) | ATMCYP19A1CYP3A4CYP2D6MAP4K4 | |
| SCHEMBL3952742 | 0.76 | CYP1A2 (0.73) | CYP1A2CYP3A4CYP2A6NOTUMNPC1 | |
| SCHEMBL28215 | 0.76 | CYP1A2 (0.73) | CYP1A2CYP3A4CYP2A6NOTUMNPC1 | |
| SCHEMBL11165087 | 0.76 | CYP1A2 (0.73) | CYP1A2CYP3A4CYP2A6NOTUMNPC1 | |
| SCHEMBL2814958 | 0.76 | ATM (0.65) | ATMCYP1A2CYP3A4CYP2D6CYP2A6 | |
| SCHEMBL2553484 | 0.74 | ATM (0.56) | ATMCYP19A1CYP2A6XDHNPC1 | |
| SCHEMBL20723166 | 0.74 | ATM (0.56) | ATMCYP3A4CYP2D6CYP2A6XDH | |
| SCHEMBL10356485 | 0.74 | ESR1 (0.58) | ATMCYP19A1CYP3A4CYP2A6XDH |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105461699-B | Substituted heterocyclic compound and its application method and purposes | 广东东阳光药业有限公司 | 2019-07-09 | — | — | CN | disclosed |
| CN-102014900-B | Method of treating cancer using a neuropeptide Y5R (NPY5R) antagonist | UNIV HEALTH NETWORK | 2014-04-02 | — | — | CN | disclosed |
| CN-101638352-B | Preparation method of aryl-substituted nitrogen heterocyclic compound | UNIV DALIAN TECH | 2011-08-31 | — | — | CN | disclosed |
| CN-102014900-A | Method of treating cancer using a neuropeptide Y5R (NPY5R) antagonist | UNIV HEALTH NETWORK | 2011-04-13 | — | — | CN | disclosed |
| CN-101638352-A | Preparation method of aryl-substituted nitrogen heterocyclic compound | UNIV DALIAN TECH | 2010-02-03 | — | — | CN | disclosed |
| EP-1871762-A2 | SUBTITUTED HETEROARYL CB1 ANTAGONISTS | NEUROGEN CORPORATION (US) | 2008-01-02 | — | — | EP | disclosed |
| CN-101027075-A | Combination therapy for the treatment of obesity | MERCK & CO INC (US) | 2007-08-29 | — | — | CN | disclosed |
| WO-2006113704-A2 | SUBTITUTED HETEROARYL CB1 ANTAGONISTS | NEUROGEN CORPORATION (US) | 2006-10-26 | — | — | WO | disclosed |