Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | LTC4S | Q16873 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | RAB9A | P51151 | 5/20 | 0.41 |
| ▸ | NPC1 | O15118 | 4/20 | 0.41 |
| ▸ | POLB | P06746 | 3/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL6229771 | 0.99 | ALDH1A1 (0.48) | ALDH1A1LTC4SCYP1A2CYP2D6CYP2C9 | |
| SCHEMBL8197938 | 0.89 | TSHR (0.52) | ALDH1A1LTC4SCYP1A2CYP2D6CYP2C9 | |
| SCHEMBL6804222 | 0.86 | ALDH1A1 (0.42) | ALDH1A1LTC4SCYP1A2CYP2D6CYP2C9 | |
| SCHEMBL6805138 | 0.84 | RAB9A (0.50) | ALDH1A1MAPTRAB9ANPC1SMN1; SMN2 | |
| SCHEMBL6805540 | 0.83 | ALDH1A1 (0.45) | ALDH1A1LTC4SCYP1A2CYP2D6CYP2C9 | |
| SCHEMBL7097157 | 0.81 | ALDH1A1 (0.53) | ALDH1A1LTC4SCYP1A2CYP2D6CYP2C9 | |
| SCHEMBL2327330 | 0.76 | WNT1 (0.51) | ALDH1A1RAB9ANPC1POLBSMN1; SMN2 | |
| SCHEMBL30557772 | 0.76 | ALDH1A1 (0.48) | ALDH1A1LTC4SCYP1A2CYP2D6CYP2C9 | |
| SCHEMBL6804427 | 0.72 | RAB9A (0.44) | ALDH1A1MAPTRAB9ANPC1SMN1; SMN2 | |
| SCHEMBL7097156 | 0.72 | ALDH1A1 (0.58) | ALDH1A1LTC4SCYP1A2CYP2D6CYP2C9 |
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-1194427-A1 | THIOPHENE-ETHYL THIOUREA COMPOUNDS AND USE IN THE TREATMENT OF HIV | Parker Hughes Institute (US) | 2002-04-10 | — | — | EP | disclosed |
| WO-2000078756-A1 | THIOPHENE-ETHYL THIOUREA COMPOUNDS AND THEIR USE IN THE TREATMENT OF HIV | PARKER HUGHES INSTITUTE (US) | 2000-12-28 | — | — | WO | disclosed |
| WO-2000078755-A1 | THIOPHENE-ETHYL THIOUREA COMPOUNDS AND USE IN THE TREATMENT OF HIV | PARKER HUGHES INSTITUTE (US) | 2000-12-28 | — | — | WO | disclosed |