Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.42 |
| ▸ | MAPT | P10636 | 4/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | AR | P10275 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.42 |
| ▸ | TSHR | P16473 | 3/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.42 |
| ▸ | ALOX12 | P18054 | 3/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.42 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.42 |
| ▸ | HTR2B | P41595 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | MAPK14 | Q16539 | 4/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL16038861 | 0.74 | NPC1 (0.47) | ALDH1A1MAPTKMT2AHPGDLMNA | |
| SCHEMBL24036626 | 0.72 | ALDH1A1 (0.44) | ALDH1A1MAPTMEN1KMT2AAR | |
| SCHEMBL11961891 | 0.71 | ALDH1A1 (0.56) | ALDH1A1MAPTMEN1KMT2AAR | |
| SCHEMBL17961915 | 0.71 | ALDH1A1 (0.56) | ALDH1A1MAPTMEN1KMT2AAR | |
| SCHEMBL56690 | 0.70 | TRPA1 (0.42) | ALDH1A1TSHRKDM4EADRA2A | |
| Bromide SCHEMBL7979442 | 0.69 | TRPA1 (0.41) | ALDH1A1TSHRKDM4EADRA2A | |
| Charcoal, Activated SCHEMBL30695269 | 0.69 | TRPA1 (0.41) | ALDH1A1TSHRKDM4EADRA2A | |
| SCHEMBL4997779 | 0.69 | TRPA1 (0.41) | ALDH1A1TSHRKDM4EADRA2A | |
| Hydrochloric Acid SCHEMBL11654712 | 0.69 | TRPA1 (0.41) | ALDH1A1TSHRKDM4EADRA2A | |
| Methane SCHEMBL29133449 | 0.69 | TRPA1 (0.41) | ALDH1A1TSHRKDM4EADRA2A |
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-118742543-A | Dihydro isoquinoline compound and medical application thereof | 中国科学院上海药物研究所 | 2024-10-01 | — | — | CN | disclosed |
| WO-2023174383-A1 | DIHYDROISOQUINOLINE COMPOUND AND MEDICAL USE THEREOF | 中国科学院上海药物研究所 | 2023-09-21 | — | — | WO | disclosed |