Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 4/20 | 0.34 |
| ▸ | CA14 | Q9ULX7 | 4/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 3/20 | 0.32 |
| ▸ | CA2 | P00918 | 3/20 | 0.32 |
| ▸ | CA7 | P43166 | 2/20 | 0.32 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.31 |
| ▸ | CTSK | P43235 | 2/20 | 0.31 |
| ▸ | CTSS | P25774 | 1/20 | 0.30 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.30 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.30 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.30 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.30 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL28220160 | 0.71 | FAAH (0.30) | — | |
| SCHEMBL27547994 | 0.71 | CYP2D6 (0.38) | CA12CA14CYP2D6CA1CA2 | |
| SCHEMBL644646 | 0.70 | TSHR (0.45) | CA12CA14CYP2D6CA1CA2 | |
| SCHEMBL27872405 | 0.69 | ALDH1A1 (0.35) | — | |
| SCHEMBL2904495 | 0.66 | TSHR (0.65) | CA12CA14CYP2D6CA1CA2 | |
| SCHEMBL6447333 | 0.66 | STING1 (0.38) | CA12CA14CYP2D6CA1CA2 | |
| SCHEMBL13804167 | 0.66 | CYP2D6 (0.37) | CA12CA14CYP2D6CA1CA2 | |
| SCHEMBL27637567 | 0.66 | CYP2D6 (0.37) | CYP2D6CA1CA2CA7EPHX2 | |
| SCHEMBL12560963 | 0.65 | LMNA (0.48) | CYP2D6CA1CA2CA7CTSK | |
| SCHEMBL5197386 | 0.65 | HDAC3 (0.35) | CA12CA14CYP2D6CA1CA2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1138322-A | 2,3-diaminopropionic acid derivative | SUMITOMO PHARMA (JP) | 1996-12-18 | — | — | CN | disclosed |