Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 3/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | IDO1 | P14902 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | MMP13 | P45452 | 1/20 | 0.38 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL5501337 | 0.81 | ALDH1A1 (0.47) | ALDH1A1HPGDMEN1LMNAGLA | |
| SCHEMBL22472264 | 0.76 | EPHX2 (0.50) | ALDH1A1HPGDMEN1LMNAGLA | |
| SCHEMBL8369238 | 0.76 | EPHX2 (0.50) | ALDH1A1HPGDMEN1LMNAGLA | |
| SCHEMBL28504289 | 0.76 | EPHX2 (0.50) | ALDH1A1HPGDMEN1LMNAGLA | |
| SCHEMBL23763884 | 0.75 | CYP1A2 (0.68) | CYP2D6CYP1A2CYP2C19MEN1LMNA | |
| SCHEMBL14270321 | 0.75 | MMP13 (0.49) | ALDH1A1CYP1A2CYP2C19HPGDLMNA | |
| SCHEMBL10591328 | 0.75 | IDO1 (0.55) | CYP2D6ALDH1A1IDO1TAAR1 | |
| SCHEMBL11922793 | 0.75 | CYP1A2 (0.59) | CYP2D6CYP1A2CYP2C19KDM4E | |
| Acetic Acid SCHEMBL21980115 | 0.74 | EPHX2 (0.53) | ALDH1A1HPGDMEN1LMNAPOLB | |
| SCHEMBL27666511 | 0.73 | IDO1 (0.53) | IDO1TAAR1 |
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-1030415-A | Saturated heterocycle carboxamide derivatives and its preparation method | YAMANOUCHI PHARMA CO LTD (JP) | 1989-01-18 | — | — | CN | disclosed |