Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 1/20 | 0.43 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.43 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 6/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.31 |
| ▸ | ANPEP | P15144 | 1/20 | 0.30 |
| ▸ | LTA4H | P09960 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL29139111 | 0.91 | THRB (0.39) | TSHRALDH1A1CA1CA2THRB | |
| SCHEMBL28490203 | 0.85 | TSHR (0.47) | TSHRALDH1A1CA1CA2THRB | |
| SCHEMBL11774432 | 0.75 | — | — | |
| Pentane SCHEMBL29242235 | 0.75 | TSHR (0.50) | ADRB2ADRB1ADRB3TSHRALDH1A1 | |
| SCHEMBL245901 | 0.73 | ADRB2 (0.41) | ADRB2ADRB1ADRB3TSHRCYP3A4 | |
| SCHEMBL8302984 | 0.73 | — | — | |
| SCHEMBL11756259 | 0.73 | ADRB2 (0.41) | ADRB2ADRB1ADRB3TSHRCYP3A4 | |
| Dodecane SCHEMBL11481051 | 0.73 | MEN1 (0.54) | TSHRALDH1A1LMNATHRBSMN1; SMN2 | |
| SCHEMBL3638307 | 0.71 | ADRB2 (0.39) | ADRB2ADRB1ADRB3TSHRCYP3A4 | |
| SCHEMBL9124092 | 0.71 | ADRB2 (0.39) | ADRB2ADRB1ADRB3TSHRCYP3A4 |
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-117083277-A | Preparation method of nalbuphine sebacate and intermediate thereof | 苏州恩华生物医药科技有限公司 | 2023-11-17 | — | — | CN | claimed |
| CN-117083277-A | Preparation method of nalbuphine sebacate and intermediate thereof | 苏州恩华生物医药科技有限公司 | 2023-11-17 | — | — | CN | disclosed |