Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 3/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | AHR | P35869 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | WNT3A | P56704 | 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 | |
|---|---|---|---|---|
| SCHEMBL7865676 | 0.93 | ALDH1A1 (0.52) | TDP1HSD17B10ALDH1A1GAANPSR1 | |
| SCHEMBL6811796 | 0.82 | TDP1 (0.70) | TDP1HSD17B10ALDH1A1GAANPSR1 | |
| SCHEMBL6816188 | 0.76 | ALDH1A1 (0.76) | HSD17B10ALDH1A1GAANPSR1HPGD | |
| SCHEMBL6815261 | 0.75 | ALDH1A1 (0.71) | TDP1ALDH1A1GAANPSR1HPGD | |
| SCHEMBL6816200 | 0.75 | GRM4 (0.56) | TDP1ALDH1A1HPGDKDM4ELMNA | |
| SCHEMBL6816037 | 0.75 | ALDH1A1 (0.77) | HSD17B10ALDH1A1GAANPSR1HPGD | |
| SCHEMBL6812259 | 0.75 | ALDH1A1 (0.72) | TDP1ALDH1A1GAANPSR1HPGD | |
| SCHEMBL6819354 | 0.75 | ALDH1A1 (0.72) | TDP1ALDH1A1GAANPSR1HPGD | |
| SCHEMBL6815700 | 0.73 | ALDH1A1 (0.59) | TDP1HSD17B10ALDH1A1GAANPSR1 | |
| SCHEMBL7166846 | 0.72 | ALDH1A1 (0.61) | ALDH1A1GAANPSR1HPGDKDM4E |
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 |