Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 1/20 | 0.52 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.50 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.50 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.50 |
| ▸ | CES2 | O00748 | 1/20 | 0.48 |
| ▸ | CES1 | P23141 | 1/20 | 0.48 |
| ▸ | SRD5A2 | P31213 | 2/20 | 0.47 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.46 |
| ▸ | CYP1A1 | P04798 | 4/20 | 0.44 |
| ▸ | CYP1B1 | Q16678 | 4/20 | 0.44 |
| ▸ | MAOB | P27338 | 2/20 | 0.44 |
| ▸ | GSK3B | P49841 | 2/20 | 0.42 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | CXCL12 | P48061 | 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 | |
|---|---|---|---|---|
| SCHEMBL8958863 | 1.00 | AKR1C3 (0.52) | AKR1C3NR4A1NR4A2NR4A3CES2 | |
| SCHEMBL28336633 | 0.85 | SRD5A2 (0.49) | NR4A2SRD5A2POLB | |
| SCHEMBL8058346 | 0.82 | AKR1C3 (0.57) | AKR1C3NR4A1NR4A2NR4A3CES2 | |
| SCHEMBL8958971 | 0.81 | HTT (0.50) | AKR1C3CES2CES1POLB | |
| SCHEMBL7942171 | 0.81 | HTT (0.50) | AKR1C3CES2CES1POLB | |
| SCHEMBL8958964 | 0.81 | HTT (0.50) | AKR1C3CES2CES1POLB | |
| SCHEMBL8958591 | 0.79 | TDP1 (0.48) | AKR1C3CES2CES1SRD5A2CYP1B1 | |
| SCHEMBL8635962 | 0.79 | TDP1 (0.48) | AKR1C3CES2CES1SRD5A2CYP1B1 | |
| SCHEMBL9812652 | 0.79 | CA1 (0.48) | CES2SRD5A2 | |
| SCHEMBL2407093 | 0.78 | AKR1C1 (0.53) | AKR1C3CES2CES1POLB |
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-5519048-A | 3-(indol-3-yl)-propenoic acid derivatives and pharmaceutical compositions thereof | MERRELL PHARMACEUTICALS INC. (US) | 1996-05-21 | — | — | US | disclosed |