Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 | P08172 | 1/20 | 0.45 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.45 |
| ▸ | MAOA | P21397 | 1/20 | 0.45 |
| ▸ | HTR2C | P28335 | 1/20 | 0.45 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.45 |
| ▸ | HTR3A | P46098 | 1/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.45 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.45 |
| ▸ | NR1H4 | Q96RI1 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | JAK2 | O60674 | 1/20 | 0.33 |
| ▸ | TYK2 | P29597 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.32 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9555905 | 0.84 | THRB (0.32) | CHRM2CHRM3MAOAHTR2CCHRNA4 | |
| SCHEMBL6311889 | 0.81 | ALDH1A1 (0.36) | MAOAHTR3AHRH3CYP3A4TP53 | |
| SCHEMBL6655035 | 0.73 | MEN1 (0.37) | MEN1ALDH1A1CYP1A2THRBKMT2A | |
| SCHEMBL9601140 | 0.72 | HTT (0.40) | CYP3A4TP53ALDH1A1CYP1A2THRB | |
| SCHEMBL16305344 | 0.72 | CHRM2 (0.56) | CHRM2CHRM3MAOAHTR2CCHRNA4 | |
| SCHEMBL6308181 | 0.71 | TPMT (0.34) | CYP3A4MEN1ALDH1A1CYP1A2THRB | |
| SCHEMBL9556472 | 0.70 | HTT (0.41) | TP53MEN1ALDH1A1CYP1A2KMT2A | |
| SCHEMBL10965940 | 0.70 | ALDH1A1 (0.38) | NR1H4MEN1ALDH1A1CYP1A2THRB | |
| SCHEMBL9817743 | 0.70 | MEN1 (0.36) | MEN1ALDH1A1CYP1A2THRBKMT2A | |
| SCHEMBL9539333 | 0.69 | CES2 (0.37) | NR1H4MEN1ALDH1A1CYP1A2THRB |
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 |
|---|---|---|---|---|---|---|---|
| US-4447608-A | ANTITUMOR AGENTS | NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) | 1984-05-08 | — | — | US | disclosed |