Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.59 |
| ▸ | HPGD | P15428 | 1/20 | 0.59 |
| ▸ | CA12 | O43570 | 1/20 | 0.56 |
| ▸ | CA1 | P00915 | 1/20 | 0.56 |
| ▸ | CA2 | P00918 | 1/20 | 0.56 |
| ▸ | CA7 | P43166 | 1/20 | 0.56 |
| ▸ | CA9 | Q16790 | 1/20 | 0.56 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.56 |
| ▸ | GAA | P10253 | 3/20 | 0.51 |
| ▸ | CYP1A1 | P04798 | 3/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.51 |
| ▸ | CYP1B1 | Q16678 | 3/20 | 0.51 |
| ▸ | MAPT | P10636 | 2/20 | 0.50 |
| ▸ | NPC1 | O15118 | 2/20 | 0.49 |
| ▸ | RAB9A | P51151 | 2/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | AHR | P35869 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.48 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL18500628 | 0.83 | KMT2A (0.58) | ALDH1A1HPGDCA12CA1CA2 | |
| SCHEMBL1547457 | 0.81 | ALDH1A1 (0.61) | ALDH1A1HPGDCA12CA1CA2 | |
| SCHEMBL10608641 | 0.79 | ALDH1A1 (0.59) | ALDH1A1HPGDCA12CA1CA2 | |
| SCHEMBL1707344 | 0.79 | ALDH1A1 (0.59) | ALDH1A1HPGDCA12CA1CA2 | |
| Hydrochloric Acid SCHEMBL28045236 | 0.79 | ALDH1A1 (0.59) | ALDH1A1HPGDCA12CA1CA2 | |
| SCHEMBL2094819 | 0.79 | ALDH1A1 (0.61) | ALDH1A1HPGDCA12CA1CA2 | |
| SCHEMBL27471732 | 0.79 | ALDH1A1 (0.59) | ALDH1A1HPGDCA12CA1CA2 | |
| Hydrochloric Acid SCHEMBL25414844 | 0.78 | ALDH1A1 (0.58) | ALDH1A1HPGDCA12CA1CA2 | |
| Hydrochloric Acid SCHEMBL20984855 | 0.78 | ALDH1A1 (0.58) | ALDH1A1HPGDCA12CA1CA2 | |
| Bromide SCHEMBL20984609 | 0.78 | ALDH1A1 (0.58) | ALDH1A1HPGDCA12CA1CA2 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1165531-C | Alpha-methylbenzyl-containing thiourea inhibitors of herpes viruses containing phenylenediamine groups | — | 2004-09-08 | — | — | CN | disclosed |
| CN-1367785-A | Heterocyclic carboxamide-containing thiourea inhibitors of herpes viruses containing substituted phenylenediamine groups | AMERICAN HOME PROD (US) | 2002-09-04 | — | — | CN | disclosed |
| CN-1348446-A | Heterocyclic carboxamide-containing thiourea inhibitors of herpes viruses containing phenylenediamine groups | AMERICAN HOME PROD (US) | 2002-05-08 | — | — | CN | disclosed |
| CN-1335843-A | Thiourea inhibitors of herpes viruses | AMERICAN HOME PROD (US) | 2002-02-13 | — | — | CN | disclosed |
| CN-1333769-A | Thiourea inhibitors of herps viruses | AMERICAN HOME PROD (US) | 2002-01-30 | — | — | CN | disclosed |
| CN-1333750-A | Acetamide and substituted acetamide-containing thiourea inhibitors of herpes viruses | AMERICAN HOME PROD (US) | 2002-01-30 | — | — | CN | disclosed |
| CN-1332725-A | Thiourea inhibitors of herpes viruses | AMERICAN HOME PROD (US) | 2002-01-23 | — | — | CN | disclosed |
| CN-1329608-A | Alpha-methylbenzyl-containing thioure a inhibitors of herpes viruses containing phenylenediamine group | AMERICAN HOME PROD (US) | 2002-01-02 | — | — | CN | disclosed |