Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.58 |
| ▸ | MAOB | P27338 | 4/20 | 0.54 |
| ▸ | MAOA | P21397 | 2/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.54 |
| ▸ | MAPT | P10636 | 3/20 | 0.54 |
| ▸ | NPC1 | O15118 | 2/20 | 0.54 |
| ▸ | LMNA | P02545 | 2/20 | 0.54 |
| ▸ | RAB9A | P51151 | 2/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.54 |
| ▸ | TP53 | P04637 | 2/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.54 |
| ▸ | TSHR | P16473 | 2/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.54 |
| ▸ | MEN1 | O00255 | 2/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.54 |
| ▸ | PKM | P14618 | 1/20 | 0.54 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.54 |
| ▸ | THPO | P40225 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL7077101 | 1.00 | CYP1A2 (0.58) | CYP1A2MAOBMAOAALDH1A1MAPT | |
| SCHEMBL10995247 | 0.83 | CYP1A2 (0.47) | CYP1A2MAOBMAOAALDH1A1MAPT | |
| SCHEMBL10995248 | 0.83 | CYP1A2 (0.47) | CYP1A2MAOBMAOAALDH1A1MAPT | |
| SCHEMBL28347012 | 0.82 | CYP1A2 (0.75) | CYP1A2MAOBMAOAALDH1A1MAPT | |
| SCHEMBL30814554 | 0.82 | GSK3B (0.69) | CYP1A2MAOBMAOAALDH1A1MAPT | |
| SCHEMBL17157605 | 0.82 | MAOB (0.54) | CYP1A2MAOBMAOAALDH1A1MAPT | |
| SCHEMBL17157604 | 0.82 | MAOB (0.54) | CYP1A2MAOBMAOAALDH1A1MAPT | |
| SCHEMBL10995524 | 0.82 | ALDH1A1 (0.51) | CYP1A2MAOBMAOAALDH1A1MAPT | |
| SCHEMBL10995520 | 0.82 | ALDH1A1 (0.51) | CYP1A2MAOBMAOAALDH1A1MAPT | |
| SCHEMBL2705827 | 0.81 | ALDH1A1 (0.57) | CYP1A2MAOBMAOAALDH1A1MAPT |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2003050105-A2 | CATALYTIC ASYMMETRIC SYNTHESIS OF OPTICALLY ACTIVE COMPOUNDS | CHEMINOVA A/S (DK) | 2003-06-19 | — | — | WO | disclosed |