Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 3/20 | 0.62 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.62 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.62 |
| ▸ | MAOA | P21397 | 2/20 | 0.62 |
| ▸ | PARP10 | Q53GL7 | 5/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 3/20 | 0.45 |
| ▸ | RAB9A | P51151 | 3/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | PARP4 | Q9UKK3 | 2/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | PARP1 | P09874 | 1/20 | 0.44 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 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 | |
|---|---|---|---|---|
| Benzamide SCHEMBL27654010 | 0.84 | MAPT (0.59) | LMNACYP3A4PARP10ALDH1A1HSD17B10 | |
| Ethyl Acetate SCHEMBL28273284 | 0.83 | LMNA (0.58) | LMNACYP1A2CYP3A4MAOAALDH1A1 | |
| Ethyl Acetate SCHEMBL27392997 | 0.81 | LMNA (0.56) | LMNACYP1A2CYP3A4MAOAALDH1A1 | |
| Acetic Acid Methyl Ester SCHEMBL28099846 | 0.81 | PARP10 (0.62) | LMNACYP1A2CYP3A4MAOAPARP10 | |
| Alcohol SCHEMBL17507342 | 0.81 | PARP10 (0.61) | LMNACYP1A2CYP3A4MAOAPARP10 | |
| Aniline SCHEMBL5361774 | 0.79 | ALDH1A1 (0.56) | LMNACYP1A2CYP3A4MAOAALDH1A1 | |
| Terephthalamide SCHEMBL5705650 | 0.79 | ALOX15 (0.65) | LMNACYP1A2CYP3A4MAOAPARP10 | |
| Acetic Acid SCHEMBL29098941 | 0.78 | PARP10 (0.63) | LMNACYP1A2CYP3A4MAOAPARP10 | |
| Terephthalamide SCHEMBL437011 | 0.78 | PARP10 (0.74) | LMNACYP3A4PARP10ALDH1A1HSD17B10 | |
| SCHEMBL56532 | 0.78 | PARP10 (0.74) | LMNACYP3A4PARP10ALDH1A1HSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| US-20060110743-A1 | Drug evolution: drug design at hot spots | KONISHI YASUO | 2006-05-25 | — | — | US | disclosed |
| WO-2002095393-A2 | DRUG EVOLUTION: DRUG DESIGN AT HOT SPOTS | NATIONAL RESEARCH COUNCIL OF CANADA (CA) | 2002-11-28 | — | — | WO | disclosed |