Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | TSHR | P16473 | 3/20 | 0.50 |
| ▸ | GAA | P10253 | 3/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | THRB | P10828 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.42 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.42 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.42 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.42 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.42 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.42 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.42 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL28049897 | 0.88 | CASP3 (0.51) | HRH3KDM4EALDH1A1TSHRGAA | |
| SCHEMBL27732349 | 0.85 | HRH3 (0.48) | HRH3KDM4EALDH1A1TSHRGAA | |
| SCHEMBL27663997 | 0.84 | HRH3 (0.55) | HRH3KDM4EALDH1A1TSHRGAA | |
| SCHEMBL28038745 | 0.81 | PIN1 (0.54) | KDM4EALDH1A1RAB9AHPGDCA2 | |
| SCHEMBL8983209 | 0.78 | PDGFRB (0.60) | KDM4EALDH1A1TSHRGAARAB9A | |
| SCHEMBL30073611 | 0.77 | PDGFRB (0.56) | KDM4EALDH1A1GAAHPGDHSD17B10 | |
| SCHEMBL4265956 | 0.77 | PDGFRB (0.56) | KDM4EALDH1A1GAAHPGDHSD17B10 | |
| SCHEMBL1105989 | 0.75 | HRH3 (0.59) | HRH3KDM4EALDH1A1GAARAB9A | |
| SCHEMBL23911774 | 0.73 | HRH3 (0.61) | HRH3KDM4EALDH1A1TSHRRAB9A | |
| SCHEMBL29415437 | 0.73 | SMAD3 (0.68) | HRH3KDM4EALDH1A1TSHRRAB9A |
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-105175309-A | N-benzyl-5/6-formyl amino indol-2-carboxylic acid derivative and application thereof | SHANGHAI INST MATERIA MEDICA | 2015-12-23 | — | — | CN | disclosed |