Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 2/20 | 0.47 |
| ▸ | S1PR1 | P21453 | 5/20 | 0.41 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.41 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | CTBP2 | P56545 | 1/20 | 0.40 |
| ▸ | IDO1 | P14902 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.39 |
| ▸ | PPARG | P37231 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL9512965 | 0.83 | GAA (0.44) | TAAR1TP53IDO1CYP3A4CYP2D6 | |
| SCHEMBL10735 | 0.82 | — | — | |
| SCHEMBL17156343 | 0.81 | RXFP1 (0.48) | CXCR4TAAR1RXFP1IDO1CYP1A2 | |
| Ammonia Solution, Strong SCHEMBL28623820 | 0.80 | TAAR1 (0.54) | TAAR1MEN1KMT2ACTBP2IDO1 | |
| SCHEMBL96359 | 0.78 | — | — | |
| SCHEMBL459194 | 0.78 | GAA (0.41) | TAAR1MEN1KMT2AIDO1CYP1A2 | |
| Dimethylamine SCHEMBL2646042 | 0.76 | TAAR1 (0.50) | TAAR1CTBP2IDO1TSHR | |
| SCHEMBL27606043 | 0.75 | ALDH1A1 (0.47) | TAAR1MEN1KMT2AIDO1CYP3A4 | |
| SCHEMBL10861109 | 0.75 | IDO1 (0.54) | TAAR1TP53MEN1KMT2ACTBP2 | |
| SCHEMBL8589839 | 0.72 | IDO1 (0.50) | TAAR1IDO1TSHR |
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 |
|---|---|---|---|---|---|---|---|
| EP-0819000-B1 | NODULISPORIC ACID DERIVATIVES | MERCK & CO INC (US) | 2009-07-08 | — | — | EP | disclosed |