Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.59 |
| ▸ | CA12 | O43570 | 1/20 | 0.53 |
| ▸ | CA1 | P00915 | 1/20 | 0.53 |
| ▸ | CA2 | P00918 | 1/20 | 0.53 |
| ▸ | CA7 | P43166 | 1/20 | 0.53 |
| ▸ | CA9 | Q16790 | 1/20 | 0.53 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.51 |
| ▸ | RAB9A | P51151 | 2/20 | 0.51 |
| ▸ | NPC1 | O15118 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.50 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.50 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.50 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.50 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.50 |
| ▸ | MAOB | P27338 | 6/20 | 0.49 |
| ▸ | MAOA | P21397 | 2/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL6003293 | 0.86 | SLC6A4 (0.47) | CYP3A4RAB9ANPC1MAOBSMN1; SMN2 | |
| SCHEMBL29751999 | 0.79 | STAT3 (0.44) | CYP3A4LMNACYP1A2PTGS1SLC6A2 | |
| SCHEMBL8517411 | 0.79 | IKBKB (0.55) | RAB9ANPC1MAPTSMN1; SMN2L3MBTL1 | |
| SCHEMBL1680928 | 0.78 | SMN1; SMN2 (0.61) | RAB9ANPC1LMNACYP1A2CYP2C19 | |
| SCHEMBL6002187 | 0.78 | ALDH1A1 (0.46) | CYP3A4RAB9ANPC1MAOBMAPT | |
| SCHEMBL4160781 | 0.77 | ALDH1A1 (0.60) | CYP3A4CA12CA1CA2CA7 | |
| SCHEMBL13491711 | 0.77 | SMN1; SMN2 (0.54) | RAB9ANPC1LMNACYP1A2CYP2C19 | |
| SCHEMBL16151069 | 0.76 | CYP3A4 (0.72) | CYP3A4CA12CA1CA2CA7 | |
| SCHEMBL339813 | 0.75 | LMNA (0.82) | CA12CA1CA2CA7CA9 | |
| SCHEMBL27367676 | 0.75 | LMNA (0.82) | CA12CA1CA2CA7CA9 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109843856-A | KRAS G12C inhibitor | 米拉蒂治疗股份有限公司 | 2019-06-04 | — | — | CN | disclosed |
| EP-2609089-A1 | SELECTIVE 17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS | Universität des Saarlandes (DE) | 2013-07-03 | — | — | EP | disclosed |
| WO-2012025638-A1 | SELECTIVE 17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS | Universität des Saarlandes (DE) | 2012-03-01 | — | — | WO | disclosed |
| WO-2012025638-A1 | SELECTIVE 17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS | Universität des Saarlandes (DE) | 2012-03-01 | — | — | WO | disclosed |