Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.64 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.64 |
| ▸ | LMNA | P02545 | 2/20 | 0.64 |
| ▸ | ESR1 | P03372 | 8/20 | 0.56 |
| ▸ | EBP | Q15125 | 4/20 | 0.56 |
| ▸ | DRD3 | P35462 | 3/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.56 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.56 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.56 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.56 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.56 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.56 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.56 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.56 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.56 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.56 |
| ▸ | HTR6 | P50406 | 2/20 | 0.56 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.56 |
| ▸ | DRD1 | P21728 | 2/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL11338177 | 0.82 | ALDH1A1 (0.76) | KDM4EALDH1A1LMNAESR1DRD3 | |
| Hydrochloric Acid SCHEMBL11671640 | 0.81 | ALDH1A1 (0.74) | KDM4EALDH1A1LMNADRD3KMT2A | |
| SCHEMBL8842395 | 0.80 | ESR1 (0.57) | KDM4EALDH1A1LMNAESR1EBP | |
| SCHEMBL11807946 | 0.80 | ALDH1A1 (0.74) | KDM4EALDH1A1LMNADRD3KMT2A | |
| SCHEMBL9706154 | 0.79 | DRD3 (0.67) | KDM4EALDH1A1LMNAESR1EBP | |
| SCHEMBL8340067 | 0.78 | LMNA (0.70) | KDM4EALDH1A1LMNAESR1EBP | |
| Etafenone SCHEMBL77987 | 0.77 | ABCB1 (0.67) | KDM4EALDH1A1LMNADRD3KCNH2 | |
| Etafenone SCHEMBL29406308 | 0.77 | ABCB1 (0.67) | KDM4EALDH1A1LMNADRD3KCNH2 | |
| Hydrochloric Acid SCHEMBL11672125 | 0.77 | ALDH1A1 (0.68) | KDM4EALDH1A1LMNAESR1EBP | |
| SCHEMBL383924 | 0.77 | ALDH1A1 (0.68) | KDM4EALDH1A1LMNADRD3KMT2A |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5665780-A | DEACTIVATING P-GLYCOPROTEIN PUMP IN TUMORS; CANCER TREATMENT | MERRELL PHARMACEUTICALS INC. (US) | 1997-09-09 | — | — | US | claimed |
| EP-0624090-B1 | REVERSAL OF MULTI-DRUG RESISTANCE BY TETRAARYLETHYLENES | MERRELL PHARMA INC (US) | 1996-09-18 | — | — | EP | claimed |
| EP-0624090-A1 | REVERSAL OF MULTI-DRUG RESISTANCE BY TETRAARYLETHYLENES. | MERRELL DOW PHARMA (US) | 1994-11-17 | — | — | EP | claimed |
| WO-1993015733-A1 | REVERSAL OF MULTI-DRUG RESISTANCE BY TETRAARYLETHYLENES | MERRELL DOW PHARMACEUTICALS INC. (US) | 1993-08-19 | — | — | WO | claimed |
| US-5665780-A | DEACTIVATING P-GLYCOPROTEIN PUMP IN TUMORS; CANCER TREATMENT | MERRELL PHARMACEUTICALS INC. (US) | 1997-09-09 | — | — | US | disclosed |
| EP-0624090-B1 | REVERSAL OF MULTI-DRUG RESISTANCE BY TETRAARYLETHYLENES | MERRELL PHARMA INC (US) | 1996-09-18 | — | — | EP | disclosed |
| US-5523304-A | Reversal of multi-drug resistance by tetraarylethylenes | MERRELL PHARMACEUTICALS INC. (US) | 1996-06-04 | — | — | US | disclosed |
| EP-0624090-A1 | REVERSAL OF MULTI-DRUG RESISTANCE BY TETRAARYLETHYLENES. | MERRELL DOW PHARMA (US) | 1994-11-17 | — | — | EP | disclosed |
| WO-1993015733-A1 | REVERSAL OF MULTI-DRUG RESISTANCE BY TETRAARYLETHYLENES | MERRELL DOW PHARMACEUTICALS INC. (US) | 1993-08-19 | — | — | WO | disclosed |