Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNA7 | P36544 | 1/20 | 0.49 |
| ▸ | MAOA | P21397 | 7/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | ACHE | P22303 | 2/20 | 0.46 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | DRD1 | P21728 | 1/20 | 0.42 |
| ▸ | DRD5 | P21918 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL1011463 | 0.87 | HTR2A (0.53) | CHRNA7MAOACYP2D6HSD17B10ALDH1A1 | |
| SCHEMBL29702351 | 0.87 | HTR2A (0.53) | CHRNA7MAOACYP2D6HSD17B10ALDH1A1 | |
| SCHEMBL3505675 | 0.87 | HTR2A (0.53) | CHRNA7MAOACYP2D6HSD17B10ALDH1A1 | |
| SCHEMBL32690214 | 0.87 | HTR2A (0.53) | CHRNA7MAOACYP2D6HSD17B10ALDH1A1 | |
| Hydrochloric Acid SCHEMBL5600419 | 0.86 | MAOA (0.54) | CHRNA7MAOACYP2D6HSD17B10ALDH1A1 | |
| Hydrochloric Acid SCHEMBL5600142 | 0.86 | MAOA (0.54) | CHRNA7MAOACYP2D6HSD17B10ALDH1A1 | |
| SCHEMBL1705264 | 0.84 | CYP3A4 (0.59) | CHRNA7MAOAALDH1A1ACHECYP3A4 | |
| SCHEMBL30040451 | 0.84 | CYP3A4 (0.59) | CHRNA7MAOAALDH1A1ACHECYP3A4 | |
| Hydrochloric Acid SCHEMBL31193341 | 0.82 | CYP3A4 (0.56) | CHRNA7MAOAALDH1A1CYP3A4MAPT | |
| Hydrochloric Acid SCHEMBL9871800 | 0.82 | CYP3A4 (0.56) | CHRNA7MAOAALDH1A1CYP3A4MAPT |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0634401-B1 | MDR reversal agents | AMERICAN CYANAMID CO (US) | 1997-08-13 | — | — | EP | disclosed |
| US-5639887-A | MULTIDRUG RESISTANT CELLS; INCREASE CELL SENSITIVITY TO ANTICANCER AGENTS | AMERICAN CYANAMID COMPANY (US) | 1997-06-17 | — | — | US | disclosed |
| US-5561141-A | POTENTIATE ACTIVITY OF ANTITUMOR AGENTS | AMERICAN CYANAMID COMPANY (US) | 1996-10-01 | — | — | US | disclosed |
| US-5550149-A | SULFUR-CONTAINING COMPOUNDS THAT ARE EFFECTIVE IN POTENTIATING THE ACTIVITY OF CHEMOTHERAPEUTIC ANTI-CANCER AGENTS BY INCREASING SENSITIVITY OF MULTI-DRUG RESISTANT CELLS | AMERICAN CYANAMID COMPANY (US) | 1996-08-27 | — | — | US | disclosed |
| US-5387685-A | MDR reversal agents | AMERICAN CYANAMID COMPANY | 1995-02-07 | — | — | US | disclosed |
| EP-0634401-A1 | MDR reversal agents | AMERICAN CYANAMID COMPANY (US) | 1995-01-18 | — | — | EP | disclosed |