Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
| ▸ | TERT | O14746 | 1/20 | 0.33 |
| ▸ | BRD4 | O60885 | 3/20 | 0.33 |
| ▸ | HTR1A | P08908 | 1/20 | 0.32 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.32 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | HTR2C | P28335 | 2/20 | 0.32 |
| ▸ | HTR2B | P41595 | 2/20 | 0.32 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.31 |
| ▸ | KDM1A | O60341 | 2/20 | 0.31 |
| ▸ | KDM1B | Q8NB78 | 1/20 | 0.31 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.30 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL18469494 | 0.82 | MEN1 (0.33) | MEN1KMT2ATERTBRD4HTR2C | |
| SCHEMBL14934302 | 0.82 | BRD4 (0.37) | MEN1KMT2AACHEBRD4HTR1A | |
| SCHEMBL10479147 | 0.76 | ACHE (0.37) | ACHEBRD4HTR1A | |
| SCHEMBL24727481 | 0.72 | — | — | |
| SCHEMBL4240252 | 0.72 | MEN1 (0.37) | MEN1KMT2ABRD4HTR1A | |
| SCHEMBL2926588 | 0.71 | BRD4 (0.51) | BRD4 | |
| SCHEMBL17193808 | 0.68 | TSHR (0.36) | MEN1KMT2AHTR2CHTR2BCHRNB2 | |
| SCHEMBL8799363 | 0.68 | HTR2C (0.35) | TERTHTR2CHTR2BADRA2AKDM1A | |
| SCHEMBL24727593 | 0.66 | NOS3 (0.33) | TERTTAAR1CYP2D6HTR2CADRA2A | |
| SCHEMBL11172073 | 0.66 | BRD4 (0.47) | ACHEBRD4 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3133071-A1 | C-ARYL INDICAN DERIVATIVE, AND PHARMACEUTICAL COMPOSITION THEREOF, PREPARATION METHOD THEREFOR AND USES THEREOF | Shanghai De Novo Pharmatech Co Ltd. (CN) | 2017-02-22 | — | — | EP | disclosed |