Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | HTR2C | P28335 | 1/20 | 0.41 |
| ▸ | HTR2B | P41595 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 5/20 | 0.38 |
| ▸ | HPGD | P15428 | 4/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 6/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL3772270 | 1.00 | HTR2A (0.41) | HTR2AHTR2CHTR2BALDH1A1TDP1 | |
| SCHEMBL10817318 | 0.83 | AMY1A (0.42) | HTR2AHTR2CHTR2BALDH1A1TDP1 | |
| SCHEMBL4547157 | 0.81 | MAPT (0.41) | HTR2AHTR2CHTR2BALDH1A1TDP1 | |
| SCHEMBL30806439 | 0.81 | TAAR1 (0.39) | HTR2AHTR2CHTR2BALDH1A1TDP1 | |
| SCHEMBL2291344 | 0.81 | TAAR1 (0.39) | HTR2AHTR2CHTR2BALDH1A1TDP1 | |
| SCHEMBL10019211 | 0.80 | ALOX15 (0.38) | HTR2AHTR2CHTR2BALDH1A1TDP1 | |
| SCHEMBL233314 | 0.80 | TAAR1 (0.41) | HTR2AHTR2CHTR2BALDH1A1TDP1 | |
| SCHEMBL4930876 | 0.79 | HTR2A (0.43) | HTR2AHTR2CHTR2BALDH1A1TDP1 | |
| SCHEMBL14327980 | 0.79 | IDO1 (0.41) | HTR2AHTR2CHTR2BALDH1A1TDP1 | |
| SCHEMBL21032335 | 0.79 | CYP1A2 (0.41) | HTR2AHTR2CHTR2BALDH1A1TDP1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118221625-A | Carboxylic acid compound, preparation method thereof and application thereof in medicine | 江苏恒瑞医药股份有限公司 | 2024-06-21 | — | — | CN | disclosed |
| WO-2023155873-A1 | CARBOXYLIC ACID COMPOUND, METHOD FOR PREPARING SAME, AND USE THEREOF IN PHARMACEUTICS | 江苏恒瑞医药股份有限公司 | 2023-08-24 | — | — | WO | disclosed |