Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 3/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | CCR2 | P41597 | 1/20 | 0.35 |
| ▸ | LTA4H | P09960 | 1/20 | 0.34 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.34 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | HTR6 | P50406 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL1580772 | 0.85 | HTT (0.38) | HTTMAPTPOLBCYP3A4CYP2C9 | |
| SCHEMBL1580509 | 0.84 | HTT (0.41) | HTTMAPTPOLBCYP3A4CYP2C9 | |
| Hydrochloric Acid SCHEMBL1156840 | 0.83 | HTT (0.41) | HTTMAPTPOLBCYP3A4CYP2C9 | |
| SCHEMBL28642111 | 0.83 | HTR6 (0.39) | MAPTCYP3A4PKMHTR6 | |
| SCHEMBL1156238 | 0.83 | HTR6 (0.37) | PKMALDH1A1MEN1KMT2AHTR6 | |
| SCHEMBL24884137 | 0.82 | PRMT6 (0.47) | MAPTLTA4HHTR6PRMT6 | |
| Hydrochloric Acid SCHEMBL1156532 | 0.82 | HTR6 (0.38) | MAPTCYP3A4PKMALDH1A1MEN1 | |
| Hydrochloric Acid SCHEMBL29011710 | 0.81 | PRMT6 (0.47) | MAPTLTA4HHTR6PRMT6 | |
| Hydrochloric Acid SCHEMBL31248536 | 0.81 | CCKBR (0.34) | HTR6 | |
| SCHEMBL25518650 | 0.81 | HTR6 (0.40) | HTTCYP3A4PKMALDH1A1TSHR |
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-108558831-B | Substituted pyrrole-4-alkylamine compound and application thereof | 上海璃道医药科技有限公司 | 2021-07-27 | — | — | CN | disclosed |