Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 10/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.45 |
| ▸ | ADRA2A | P08913 | 3/20 | 0.45 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | DRD2 | P14416 | 2/20 | 0.45 |
| ▸ | DRD1 | P21728 | 2/20 | 0.45 |
| ▸ | DRD4 | P21917 | 2/20 | 0.45 |
| ▸ | DRD5 | P21918 | 2/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.45 |
| ▸ | DRD3 | P35462 | 2/20 | 0.45 |
| ▸ | RECQL | P46063 | 2/20 | 0.45 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | HTR1A | P08908 | 2/20 | 0.45 |
| ▸ | PNMT | P11086 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL2860410 | 0.83 | LOXL2 (0.47) | ADRB2SHMT2LOXL2ECE2 | |
| SCHEMBL31367022 | 0.83 | LOXL2 (0.47) | ADRB2SHMT2LOXL2ECE2 | |
| Hydrochloric Acid SCHEMBL28952754 | 0.81 | LOXL2 (0.45) | ADRB2SHMT2LOXL2GAAECE2 | |
| SCHEMBL5155836 | 0.79 | KDM4E (0.47) | KDM4EMAPTTDP1ALDH1A1CYP2D6 | |
| SCHEMBL31287240 | 0.79 | ECE2 (0.42) | KDM4EADRA2AMAPTTDP1CYP2D6 | |
| SCHEMBL31287242 | 0.79 | KDM4E (0.47) | KDM4EMAPTTDP1ALDH1A1CYP2D6 | |
| SCHEMBL5248396 | 0.79 | ECE2 (0.42) | KDM4EADRA2AMAPTTDP1CYP2D6 | |
| SCHEMBL6851853 | 0.79 | ECE2 (0.42) | KDM4EADRA2AMAPTTDP1ALDH1A1 | |
| SCHEMBL9971308 | 0.79 | CNR1 (0.44) | MAPTCYP2D6SHMT2GAAECE2 | |
| SCHEMBL5151371 | 0.79 | ECE2 (0.42) | ADRA2AMAPTTDP1CYP2D6SHMT2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2139334-A1 | 2-CYANOPHENYL FUSED HETEROCYCLIC COMPOUNDS, AND COMPOSITIONS AND USES THEREOF | Renovis, Inc. (US) | 2010-01-06 | — | — | EP | disclosed |
| WO-2008130481-A1 | 2-CYANOPHENYL FUSED HETEROCYCLIC COMPOUNDS, AND COMPOSITIONS AND USES THEREOF | RENOVIS, INC. (US) | 2008-10-30 | — | — | WO | disclosed |