Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKT1 | P31749 | 2/20 | 0.41 |
| ▸ | CA12 | O43570 | 2/20 | 0.40 |
| ▸ | CA7 | P43166 | 2/20 | 0.40 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | IDO1 | P14902 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | PPARG | P37231 | 1/20 | 0.38 |
| ▸ | PPARA | Q07869 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.37 |
| ▸ | ITGB7 | P26010 | 1/20 | 0.37 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | CTSS | P25774 | 2/20 | 0.36 |
| ▸ | CTSL | P07711 | 1/20 | 0.36 |
| ▸ | CTSB | P07858 | 1/20 | 0.36 |
| ▸ | CTSK | P43235 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9574048 | 1.00 | AKT1 (0.41) | AKT1CA12CA7CA14CA1 | |
| SCHEMBL9574050 | 0.89 | CA12 (0.40) | AKT1CA12CA7CA14CA1 | |
| SCHEMBL13762100 | 0.79 | CA12 (0.42) | AKT1CA12CA7CA14CA1 | |
| SCHEMBL7310361 | 0.75 | PPARA (0.40) | AKT1CA12CA7CA14CA1 | |
| SCHEMBL7310366 | 0.75 | PPARA (0.40) | AKT1CA12CA7CA14CA1 | |
| SCHEMBL30049782 | 0.74 | CA2 (0.35) | CA12CA7CA14CA1TSHR | |
| SCHEMBL30049817 | 0.73 | CA2 (0.39) | CA12CA7CA14CA1CTSK | |
| SCHEMBL8168085 | 0.73 | CYP3A4 (0.45) | AKT1CA12CA7CA14CA1 | |
| SCHEMBL8168086 | 0.73 | CYP3A4 (0.45) | AKT1CA12CA7CA14CA1 | |
| SCHEMBL28320732 | 0.73 | CYP3A4 (0.45) | ALDH1A1LMNAKDM4EMAPK1MAPT |
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 |
|---|---|---|---|---|---|---|---|
| EP-0561758-A2 | Method of preparing optically active homo-beta-amino acids | MONSANTO COMPANY (US) | 1993-09-22 | — | — | EP | disclosed |