Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIN1 | Q13526 | 1/20 | 0.56 |
| ▸ | SMAD3 | P84022 | 1/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.53 |
| ▸ | HPGD | P15428 | 3/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | F7 | P08709 | 1/20 | 0.53 |
| ▸ | F3 | P13726 | 1/20 | 0.53 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.53 |
| ▸ | LMNA | P02545 | 1/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.53 |
| ▸ | APEX1 | P27695 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.53 |
| ▸ | NGFR | P08138 | 1/20 | 0.52 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.51 |
| ▸ | SRD5A2 | P31213 | 2/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | DAO | P14920 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL1333512 | 0.89 | SMAD3 (0.66) | PIN1SMAD3KDM4EHPGDHSD17B10 | |
| Dimethylformamide SCHEMBL27866258 | 0.82 | FLT3 (0.57) | PIN1SMAD3KDM4EHPGDHSD17B10 | |
| SCHEMBL1156067 | 0.80 | HRH4 (0.55) | PIN1SMAD3NGFRHRH4CYP2A6 | |
| Dimethylformamide SCHEMBL28004366 | 0.78 | HRH4 (0.55) | PIN1SMAD3KDM4EHPGDHSD17B10 | |
| SCHEMBL12862877 | 0.78 | HRH4 (0.58) | PIN1SMAD3KDM4EHPGDHSD17B10 | |
| Dimethylformamide SCHEMBL28003985 | 0.77 | XDH (0.42) | PIN1SMAD3KDM4EHPGDHSD17B10 | |
| Dimethylformamide SCHEMBL28004368 | 0.77 | F7 (0.40) | PIN1KDM4EHPGDHSD17B10ALDH1A1 | |
| SCHEMBL5897662 | 0.76 | NHERF1 (0.56) | PIN1SMAD3KDM4EHPGDHSD17B10 | |
| SCHEMBL3608666 | 0.76 | HRH4 (0.56) | PIN1SMAD3KDM4EHPGDHSD17B10 | |
| SCHEMBL3627970 | 0.76 | HSD17B10 (0.59) | PIN1SMAD3KDM4EHPGDHSD17B10 |
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-104334553-A | Amino-indolyl-substituted imidazolyl-pyrimidines and their use as medicaments | BOEHRINGER INGELHEIM INT | 2015-02-04 | — | — | CN | disclosed |