Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.43 |
| ▸ | POLB | P06746 | 2/20 | 0.42 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.41 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 5/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.40 |
| ▸ | MEN1 | O00255 | 3/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.36 |
| ▸ | ERN1 | O75460 | 1/20 | 0.34 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.34 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.34 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.34 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.34 |
| ▸ | DAO | P14920 | 1/20 | 0.33 |
| ▸ | GPR139 | Q6DWJ6 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL247899 | 0.82 | CES2 (0.42) | ALDH1A1AKR1C3AKR1C2 | |
| SCHEMBL20495193 | 0.82 | CES2 (0.42) | ALDH1A1AKR1C3AKR1C2 | |
| SCHEMBL18942465 | 0.79 | AKR1C3 (0.45) | ALDH1A1POLBAKR1C3AKR1C2TP53 | |
| SCHEMBL19555328 | 0.79 | PSEN1 (0.36) | ALDH1A1GPR139 | |
| SCHEMBL17165350 | 0.79 | PSEN1 (0.36) | ALDH1A1GPR139 | |
| SCHEMBL5702253 | 0.79 | SHBG (0.46) | LMNAERN1 | |
| SCHEMBL12492053 | 0.78 | KDM1A (0.33) | — | |
| SCHEMBL27605593 | 0.77 | LMNA (0.40) | ALDH1A1POLBAKR1C3AKR1C2TP53 | |
| SCHEMBL8282398 | 0.74 | AKR1C3 (0.41) | ALDH1A1POLBAKR1C3AKR1C2TP53 | |
| SCHEMBL22031605 | 0.73 | OPRM1 (0.39) | ALDH1A1POLBAKR1C3AKR1C2TP53 |
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-1507530-A1 | DIAMINOTHIAZOLES | F. HOFFMANN-LA ROCHE AG (CH) | 2005-02-23 | — | — | EP | disclosed |
| WO-2003097048-A1 | DIAMINOTHIAZOLES | F. HOFFMANN-LA ROCHE AG (CH) | 2003-11-27 | — | — | WO | disclosed |