Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA9 | Q16790 | 3/20 | 0.51 |
| ▸ | CA1 | P00915 | 3/20 | 0.51 |
| ▸ | CA2 | P00918 | 3/20 | 0.51 |
| ▸ | LMNA | P02545 | 2/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.50 |
| ▸ | AR | P10275 | 1/20 | 0.50 |
| ▸ | BCHE | P06276 | 1/20 | 0.50 |
| ▸ | ACHE | P22303 | 1/20 | 0.50 |
| ▸ | CA12 | O43570 | 1/20 | 0.50 |
| ▸ | ATM | Q13315 | 1/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.47 |
| ▸ | PIR | O00625 | 1/20 | 0.46 |
| ▸ | VDR | P11473 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | CNR2 | P34972 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL2890 | 0.98 | CA9 (0.53) | CA9CA1CA2LMNACYP1A2 | |
| Toluene SCHEMBL9257721 | 0.97 | CA9 (0.51) | CA9CA1CA2LMNACYP1A2 | |
| N,N-Dimethylethanaminium SCHEMBL11574804 | 0.89 | LMNA (0.46) | CA9CA1CA2LMNACYP1A2 | |
| SCHEMBL6859827 | 0.89 | CA2 (0.63) | CA9CA1CA2CYP3A4BCHE | |
| SCHEMBL8052920 | 0.89 | CA2 (0.63) | CA9CA1CA2CYP3A4BCHE | |
| Glycine SCHEMBL6795033 | 0.88 | LMNA (0.51) | CA9CA1CA2LMNACYP1A2 | |
| SCHEMBL27966350 | 0.87 | MAPT (0.48) | CA9CA1CA2LMNACYP1A2 | |
| SCHEMBL4947525 | 0.86 | CYP19A1 (0.53) | CA9CA1CA2LMNACYP1A2 | |
| D-Alanine SCHEMBL21580302 | 0.85 | LMNA (0.49) | CA9CA1CA2LMNACYP1A2 | |
| Alanine SCHEMBL21580304 | 0.85 | LMNA (0.49) | CA9CA1CA2LMNACYP1A2 |
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-117120445-A | Process for the preparation of isohexide diamines from isohexide diols | 科思创德国股份有限公司 | 2023-11-24 | — | — | CN | disclosed |
| US-5198320-A | Polymers with oxygen linkages polysiloxanes | EASTMAN KODAK COMPANY (US) | 1993-03-30 | — | — | US | disclosed |