Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.58 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.58 |
| ▸ | TNFRSF1A | P19438 | 1/20 | 0.56 |
| ▸ | MAPT | P10636 | 5/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.49 |
| ▸ | ATM | Q13315 | 3/20 | 0.49 |
| ▸ | MAOA | P21397 | 2/20 | 0.49 |
| ▸ | KRAS | P01116 | 1/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.49 |
| ▸ | CXCL12 | P48061 | 1/20 | 0.47 |
| ▸ | CTSL | P07711 | 1/20 | 0.47 |
| ▸ | CTSB | P07858 | 1/20 | 0.47 |
| ▸ | MAOB | P27338 | 2/20 | 0.46 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.46 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL9756739 | 1.00 | CYP1A2 (0.58) | CYP1A2CYP2C19TNFRSF1AMAPTSMN1; SMN2 | |
| SCHEMBL6989989 | 0.81 | TNFRSF1A (0.72) | CYP1A2CYP2C19TNFRSF1AMAPTSMN1; SMN2 | |
| SCHEMBL6989990 | 0.81 | TNFRSF1A (0.72) | CYP1A2CYP2C19TNFRSF1AMAPTSMN1; SMN2 | |
| SCHEMBL11429551 | 0.81 | MAPT (0.58) | CYP1A2CYP2C19MAPTSMN1; SMN2ALDH1A1 | |
| SCHEMBL11490304 | 0.81 | MAPT (0.58) | CYP1A2CYP2C19MAPTSMN1; SMN2ALDH1A1 | |
| SCHEMBL5197267 | 0.80 | RECQL (0.55) | TNFRSF1AMAPTSMN1; SMN2ALDH1A1MAOB | |
| SCHEMBL5197269 | 0.80 | RECQL (0.55) | TNFRSF1AMAPTSMN1; SMN2ALDH1A1MAOB | |
| SCHEMBL9519390 | 0.79 | F3 (0.64) | TNFRSF1AMAPTALDH1A1MAOAMAOB | |
| SCHEMBL11298787 | 0.79 | F3 (0.64) | TNFRSF1AMAPTALDH1A1MAOAMAOB | |
| SCHEMBL956091 | 0.78 | CYP1A2 (0.63) | CYP1A2CYP2C19TNFRSF1AMAPTSMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| US-4992462-A | Inhibitor of HMG-CoA reductase | BAYER AKTIENGESELLSCHAFT (DE) | 1991-02-12 | — | — | US | disclosed |
| EP-0287890-A1 | Substituted pyrroles | BAYER AG (DE) | 1988-10-26 | — | — | EP | disclosed |