Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.56 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.56 |
| ▸ | PBRM1 | Q86U86 | 2/20 | 0.54 |
| ▸ | HTT | P42858 | 2/20 | 0.53 |
| ▸ | LMNA | P02545 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.51 |
| ▸ | GAA | P10253 | 2/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 3/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.48 |
| ▸ | RAB9A | P51151 | 2/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | RECQL | P46063 | 1/20 | 0.48 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.44 |
| ▸ | HTR1A | P08908 | 1/20 | 0.44 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL31470846 | 1.00 | CYP1A2 (0.56) | CYP1A2CYP2C9CYP2C19TDP1PBRM1 | |
| SCHEMBL29217466 | 0.84 | POLB (0.50) | CYP1A2CYP2C9CYP2C19TDP1PBRM1 | |
| SCHEMBL11887770 | 0.84 | SLC22A1 (0.57) | CYP1A2TDP1HTTLMNAALDH1A1 | |
| SCHEMBL10613416 | 0.84 | SLC22A1 (0.57) | CYP1A2TDP1HTTLMNAALDH1A1 | |
| SCHEMBL5302952 | 0.82 | CYP1A2 (0.54) | CYP1A2CYP2C9CYP2C19TDP1PBRM1 | |
| SCHEMBL29385007 | 0.82 | CYP1A2 (0.54) | CYP1A2CYP2C9CYP2C19TDP1PBRM1 | |
| SCHEMBL2164318 | 0.82 | CYP1A2 (0.54) | CYP1A2CYP2C9CYP2C19TDP1PBRM1 | |
| SCHEMBL2164321 | 0.82 | CYP1A2 (0.54) | CYP1A2CYP2C9CYP2C19TDP1PBRM1 | |
| SCHEMBL20502710 | 0.77 | PBRM1 (0.55) | CYP1A2CYP2C9CYP2C19TDP1PBRM1 | |
| SCHEMBL22538769 | 0.77 | HTT (0.59) | CYP1A2CYP2C9CYP2C19TDP1PBRM1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017021216-A1 | METHOD OF TREATING CANCER WITH A COMBINATION OF BENZYLIDENEGUANIDINE DERIVATIVES AND CHEMOTHERAPEUTIC AGENT. | INFLECTIS BIOSCIENCE (FR) | 2017-02-09 | — | — | WO | disclosed |