Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | POLB | P06746 | 2/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 3/20 | 0.36 |
| ▸ | CA1 | P00915 | 3/20 | 0.36 |
| ▸ | CA2 | P00918 | 3/20 | 0.36 |
| ▸ | CA7 | P43166 | 3/20 | 0.36 |
| ▸ | CA9 | Q16790 | 3/20 | 0.36 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.36 |
| ▸ | ESR1 | P03372 | 1/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.36 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.35 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 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 | |
|---|---|---|---|---|
| SCHEMBL4919337 | 0.70 | TSHR (0.41) | CYP1A2TSHRKDM4EALDH1A1POLB | |
| SCHEMBL28364501 | 0.67 | CYP1A2 (0.39) | CYP1A2TSHRKDM4EALDH1A1POLB | |
| SCHEMBL29210425 | 0.66 | TSHR (0.48) | CYP1A2TSHRALDH1A1CA12CA1 | |
| SCHEMBL3677772 | 0.64 | — | — | |
| SCHEMBL30569264 | 0.63 | CYP1A2 (0.39) | CYP1A2TSHRKDM4EALDH1A1CA12 | |
| SCHEMBL28347204 | 0.63 | — | — | |
| SCHEMBL1427719 | 0.62 | CYP1A2 (0.44) | CYP1A2TSHRKDM4EALDH1A1CA12 | |
| SCHEMBL19102899 | 0.60 | CYP1A2 (0.46) | CYP1A2TSHRKDM4EALDH1A1POLB | |
| SCHEMBL27821848 | 0.60 | HCAR2 (0.52) | CYP1A2TSHRALDH1A1CA12CA1 | |
| SCHEMBL362159 | 0.60 | TSHR (0.63) | CYP1A2TSHRKDM4EALDH1A1POLB |
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-115867557-A | Azepine fused ring compounds and medical application thereof | 中国医药研究开发中心有限公司 | 2023-03-28 | — | — | CN | disclosed |
| CN-112689636-A | Novel heteroatom aromatic amide derivative and drug containing the same | 科研制药株式会社 | 2021-04-20 | — | — | CN | disclosed |