Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.53 |
| ▸ | PAX8 | Q06710 | 2/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | GLA | P06280 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.47 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.45 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.45 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.45 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL12311342 | 0.87 | ALDH1A1 (0.50) | ALDH1A1PAX8NPC1GLAHTT | |
| SCHEMBL28459939 | 0.83 | ALDH1A1 (0.58) | ALDH1A1GLASMN1; SMN2MAPTHPGD | |
| SCHEMBL84134 | 0.83 | ALDH1A1 (0.49) | ALDH1A1PAX8NPC1GLAHTT | |
| SCHEMBL10377193 | 0.83 | ALDH1A1 (0.49) | ALDH1A1PAX8NPC1GLAHTT | |
| SCHEMBL12311314 | 0.82 | PAX8 (0.49) | ALDH1A1PAX8NPC1GLAHTT | |
| SCHEMBL11790891 | 0.82 | ALDH1A1 (0.48) | ALDH1A1PAX8NPC1GLAHTT | |
| SCHEMBL510392 | 0.81 | SMN1; SMN2 (0.54) | ALDH1A1PAX8NPC1GLAHTT | |
| SCHEMBL11340243 | 0.81 | ALDH1A1 (0.44) | ALDH1A1PAX8NPC1GLAHTT | |
| SCHEMBL6508028 | 0.81 | ALDH1A1 (0.58) | ALDH1A1PAX8NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL6980622 | 0.81 | ALDH1A1 (0.47) | ALDH1A1PAX8NPC1GLAHTT |
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-0358416-B1 | S-(N-alkoxycarbonyl, N-substituted) amino-methyl isothiourea derivative | KOREA RES INST CHEM TECH (KR) | 1994-12-14 | — | — | EP | disclosed |
| US-5077423-A | Intermediates for 1,3,5-thiadiazine-4-one derivatives | KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) | 1991-12-31 | — | — | US | disclosed |
| EP-0358416-A1 | S-(N-alkoxycarbonyl, N-substituted) amino-methyl isothiourea derivative | KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) | 1990-03-14 | — | — | EP | disclosed |