Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 1/20 | 0.52 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.52 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.52 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | GAA | P10253 | 2/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | CNR1 | P21554 | 1/20 | 0.46 |
| ▸ | CNR2 | P34972 | 1/20 | 0.46 |
| ▸ | DRD4 | P21917 | 2/20 | 0.45 |
| ▸ | DRD1 | P21728 | 1/20 | 0.45 |
| ▸ | DRD5 | P21918 | 1/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | CCR5 | P51681 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL30306336 | 0.87 | CCR5 (0.55) | HTR1ASLC6A2SLC6A4SLC6A3ALDH1A1 | |
| SCHEMBL29135294 | 0.87 | CCR5 (0.55) | HTR1ASLC6A2SLC6A4SLC6A3ALDH1A1 | |
| SCHEMBL30306324 | 0.83 | ALDH1A1 (0.50) | ALDH1A1MAPTCNR1CNR2DRD4 | |
| SCHEMBL30306331 | 0.82 | DRD2 (0.52) | HTR1ASLC6A2SLC6A4SLC6A3ALDH1A1 | |
| SCHEMBL29135260 | 0.82 | DRD2 (0.52) | HTR1ASLC6A2SLC6A4SLC6A3ALDH1A1 | |
| SCHEMBL3921372 | 0.81 | ALDH1A3 (0.49) | ALDH1A1MAPTGAANPC1RAB9A | |
| SCHEMBL29135246 | 0.80 | PIK3CG (0.41) | HTR1ASLC6A2SLC6A4SLC6A3ALDH1A1 | |
| SCHEMBL31008257 | 0.80 | PIK3CG (0.41) | HTR1ASLC6A2SLC6A4SLC6A3ALDH1A1 | |
| SCHEMBL8342129 | 0.77 | POLB (0.54) | ALDH1A1MAPTGAANPC1RAB9A | |
| SCHEMBL29135256 | 0.77 | TSHR (0.46) | ALDH1A1GAACNR1CNR2ALOX15 |
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-117957232-A | Azaindazole macrocyclic compounds and uses thereof | 北京伯汇生物技术有限公司 | 2024-04-30 | — | — | CN | disclosed |
| CN-115838373-A | Azaindazole macrocycles and uses thereof | 北京伯汇生物技术有限公司 | 2023-03-24 | — | — | CN | disclosed |