Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 3/20 | 0.40 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | VHL | P40337 | 1/20 | 0.36 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 3/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 2/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.31 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Trimethylammonium SCHEMBL27360866 | 0.95 | NOTUM (0.37) | NOTUMEPHX2ALDH1A1LMNAVHL | |
| Hydrochloric Acid SCHEMBL9548294 | 0.85 | EPHX2 (0.36) | NOTUMEPHX2ALDH1A1LMNAVHL | |
| SCHEMBL27348675 | 0.83 | NOTUM (0.40) | NOTUMEPHX2ALDH1A1LMNAVHL | |
| SCHEMBL9548314 | 0.81 | SHMT1 (0.45) | NOTUMEPHX2ALDH1A1LMNARAB9A | |
| SCHEMBL9548302 | 0.81 | EPHX2 (0.42) | EPHX2ALDH1A1LMNAVHLRAB9A | |
| SCHEMBL9548269 | 0.78 | POLB (0.49) | EPHX2LMNARAB9AHPGDSMN1; SMN2 | |
| SCHEMBL442507 | 0.78 | NOTUM (0.43) | NOTUMEPHX2ALDH1A1LMNACYP2E1 | |
| Hydrochloric Acid SCHEMBL19555684 | 0.77 | NOTUM (0.42) | NOTUMEPHX2ALDH1A1LMNACYP2E1 | |
| SCHEMBL4158787 | 0.74 | NOTUM (0.43) | NOTUMEPHX2CYP2E1CYP2A6CYP2C9 | |
| Hydrochloric Acid SCHEMBL9548357 | 0.74 | LMNA (0.47) | ALDH1A1LMNA |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5273989-A | 3,5-disubstituted 2-isoxazolines and isoxazoles, agents containing them and their use | HOECHST AKTIENGESELLSCHAFT (DE) | 1993-12-28 | — | — | US | claimed |
| CN-1055537-A | 3, two replacement-2-different azoles alkane of 5-and different azoles, its preparation method contain the preparation and the application thereof of this composition | HOECHST AG (DE) | 1991-10-23 | — | — | CN | claimed |
| US-5273989-A | 3,5-disubstituted 2-isoxazolines and isoxazoles, agents containing them and their use | HOECHST AKTIENGESELLSCHAFT (DE) | 1993-12-28 | — | — | US | disclosed |
| CN-1055537-A | 3, two replacement-2-different azoles alkane of 5-and different azoles, its preparation method contain the preparation and the application thereof of this composition | HOECHST AG (DE) | 1991-10-23 | — | — | CN | disclosed |