Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | KDM2B | Q8NHM5 | 1/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 8/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | HTR2A | P28223 | 2/20 | 0.35 |
| ▸ | HRH1 | P35367 | 2/20 | 0.35 |
| ▸ | HTR2B | P41595 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | HTR2C | P28335 | 1/20 | 0.35 |
| ▸ | GABRP | O00591 | 1/20 | 0.33 |
| ▸ | GABRD | O14764 | 1/20 | 0.33 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.33 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.33 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.33 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.33 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.33 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.33 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.33 |
| ▸ | GABRB2 | P47870 | 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 | |
|---|---|---|---|---|
| SCHEMBL28442543 | 1.00 | TSHR (0.46) | TSHRKDM2BHRH3LMNAHTR2A | |
| SCHEMBL1978050 | 0.89 | TSHR (0.53) | TSHRHRH3LMNAKDM4E | |
| SCHEMBL21341447 | 0.86 | TSHR (0.46) | TSHRLMNAHTR2AHRH1HTR2B | |
| SCHEMBL1437563 | 0.84 | CHRM1 (0.45) | KDM2BHRH3LMNAKDM4E | |
| SCHEMBL21061915 | 0.80 | GSK3B (0.35) | KDM2BHRH3LMNA | |
| SCHEMBL21061547 | 0.80 | GSK3B (0.35) | KDM2BHRH3LMNA | |
| SCHEMBL16695128 | 0.79 | ALDH1A1 (0.49) | TSHRKDM2BHRH3LMNAHTR2A | |
| SCHEMBL21036096 | 0.79 | ALDH1A1 (0.49) | TSHRKDM2BHRH3LMNAHTR2A | |
| SCHEMBL29086901 | 0.78 | HRH3 (0.45) | HRH3 | |
| SCHEMBL1978680 | 0.78 | ALDH1A1 (0.44) | TSHRLMNAHTR2AHRH1HTR2B |
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-111479813-B | Triazolobenzazepines as vasopressin V1A receptor antagonists | 吉瑞工厂 | 2023-03-21 | — | — | CN | disclosed |
| CN-111479813-A | Triazolobenzazepines as vasopressin V1A receptor antagonists | 吉瑞工厂 | 2020-07-31 | — | — | CN | disclosed |