Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 5/20 | 0.58 |
| ▸ | BAZ2B | Q9UIF8 | 1/20 | 0.58 |
| ▸ | MAPT | P10636 | 8/20 | 0.50 |
| ▸ | LMNA | P02545 | 4/20 | 0.50 |
| ▸ | HTT | P42858 | 2/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.47 |
| ▸ | ADH5 | P11766 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | AHR | P35869 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | HTR2C | P28335 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL611481 | 0.76 | CYP3A4 (1.00) | CYP3A4BAZ2BMAPTLMNAHTT | |
| Trifluoromethanesulfonic Acid SCHEMBL5694136 | 0.76 | CYP3A4 (0.76) | CYP3A4BAZ2BMAPTLMNAHTT | |
| SCHEMBL6819613 | 0.74 | CES2 (0.45) | MAPTNPSR1GAAMEN1KMT2A | |
| SCHEMBL3535504 | 0.68 | ADH5 (0.54) | CYP3A4BAZ2BHTTADH5ALDH1A1 | |
| SCHEMBL1882019 | 0.68 | CYP3A4 (0.47) | CYP3A4MAPTLMNAADH5ALDH1A1 | |
| SCHEMBL709619 | 0.68 | LMNA (0.58) | CYP3A4BAZ2BMAPTLMNAHTT | |
| SCHEMBL1022965 | 0.67 | HTT (1.00) | CYP3A4BAZ2BMAPTLMNAHTT | |
| SCHEMBL8333311 | 0.67 | CYP11B1 (0.55) | CYP3A4MAPTLMNAHTTSMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL17583800 | 0.67 | CYP3A4 (0.46) | CYP3A4MAPTLMNAADH5ALDH1A1 | |
| Benzaldehyde SCHEMBL27623570 | 0.66 | CYP3A4 (0.76) | CYP3A4BAZ2BMAPTLMNAHTT |
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-1137645-A2 | ALPHA-METHYLBENZYL-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING A PHENYLENEDIAMINE GROUP | AMERICAN HOME PRODUCTS CORPORATION (US) | 2001-10-04 | — | — | EP | disclosed |
| WO-2000034260-A2 | ALPHA-METHYLBENZYL-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING A PHENYLENEDIAMINE GROUP | AMERICAN HOME PRODUCTS CORPORATION (US) | 2000-06-15 | — | — | WO | disclosed |