Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.35 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.35 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.35 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.35 |
| ▸ | CYP51A1 | Q16850 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | KIF11 | P52732 | 1/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.33 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.33 |
| ▸ | AR | P10275 | 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 | |
|---|---|---|---|---|
| SCHEMBL6313014 | 0.76 | TBXAS1 (0.44) | CYP3A4CYP2C9CYP19A1 | |
| SCHEMBL9790348 | 0.71 | LMNA (0.44) | KDM4EALOX15CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL6312998 | 0.70 | MC4R (0.47) | CYP3A4CYP2C9CYP2C19LMNACYP11B1 | |
| SCHEMBL11187456 | 0.70 | CYP19A1 (0.41) | KDM4EALOX15CYP3A4HSP90AA1CYP19A1 | |
| SCHEMBL18542673 | 0.69 | POLB (0.40) | KDM4EALOX15POLBHPGD | |
| SCHEMBL11147395 | 0.69 | PDE2A (0.37) | KDM4ECYP2C9CYP2C19CYP19A1LMNA | |
| SCHEMBL11260868 | 0.68 | PNMT (0.57) | KDM4EALOX15CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL10333189 | 0.68 | POLB (0.40) | KDM4EALOX15CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL3608292 | 0.68 | PDE2A (0.44) | LMNA | |
| SCHEMBL10333296 | 0.68 | POLB (0.41) | KDM4EALOX15CYP3A4HSP90AA1CYP19A1 |
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-1450901-A4 | (1-PHENYL-2-HETEROARYL)ETHYL-GUANIDINE COMPOUNDS AS INHIBITORS OF MITOCHONDRIAL F1F0 ATP HYDROLASE | BRISTOL MYERS SQUIBB CO (US) | 2005-05-25 | — | — | EP | disclosed |
| EP-1450901-A2 | (1-PHENYL-2-HETEROARYL)ETHYL-GUANIDINE COMPOUNDS AS INHIBITORS OF MITOCHONDRIAL F1F0 ATP HYDROLASE | Bristol-Myers Squibb Company (US) | 2004-09-01 | — | — | EP | disclosed |
| WO-2003050261-A2 | (1-PHENYL-2-HETEROARYL)ETHYL-GUANIDINE COMPOUNDS AS INHIBITORS OF MITOCHONDRIAL F1F0 ATP HYDROLASE | BRISTOL-MYERS SQUIBB COMPANY (US) | 2003-06-19 | — | — | WO | disclosed |