Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | HPGD | P15428 | 3/20 | 0.46 |
| ▸ | LMNA | P02545 | 3/20 | 0.46 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | GLA | P06280 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL822021 | 0.80 | — | — | |
| Benzaldehyde SCHEMBL504037 | 0.79 | ALDH1A1 (0.61) | ALDH1A1HPGDLMNACYP2A6POLB | |
| Benzaldehyde SCHEMBL28589859 | 0.73 | ALDH1A1 (0.64) | ALDH1A1LMNACYP2A6GLAKDM4E | |
| Benzaldehyde SCHEMBL5707816 | 0.72 | ALDH1A1 (0.78) | ALDH1A1LMNACYP2A6CYP1A2MAPT | |
| Benzaldehyde SCHEMBL8515995 | 0.71 | ALDH1A1 (0.61) | ALDH1A1LMNACYP2A6CYP1A2MAPT | |
| Benzaldehyde SCHEMBL11228895 | 0.70 | ALDH1A1 (0.67) | ALDH1A1LMNACYP2A6CYP1A2MAPT | |
| Benzaldehyde SCHEMBL28219824 | 0.70 | ALDH1A1 (0.67) | ALDH1A1HPGDLMNACYP2A6CYP1A2 | |
| Benzaldehyde SCHEMBL28122866 | 0.70 | ALDH1A1 (0.67) | ALDH1A1LMNACYP2A6CYP1A2MAPT | |
| Benzaldehyde SCHEMBL28003765 | 0.70 | ALDH1A1 (0.74) | ALDH1A1LMNACYP2A6CYP1A2MAPT | |
| N-Allylcinnamamide SCHEMBL24263391 | 0.70 | RAB9A (0.66) | ALDH1A1HPGDPOLBRAB9AHTT |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0831845-B1 | DIPHOSPHONATE DERIVATIVES OF THERAPEUTIC AGENTS | ELIZANOR BIOPHARMACEUTICALS IN (US) | 2004-09-08 | — | — | EP | disclosed |
| US-5854227-A | Therapeutic derivatives of diphosphonates | ELIZANOR BIOPHARMACUETICALS, INC. | 1998-12-29 | — | — | US | disclosed |
| WO-1996040156-A1 | DIPHOSPHONATE DERIVATIVES OF THERAPEUTIC AGENTS | ELIZANOR BIOPHARMACEUTICALS, INC. (US) | 1996-12-19 | — | — | WO | disclosed |