Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B1 | P14061 | 7/20 | 0.59 |
| ▸ | HTT | P42858 | 3/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.52 |
| ▸ | PKM | P14618 | 2/20 | 0.50 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.48 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.48 |
| ▸ | BACE1 | P56817 | 1/20 | 0.45 |
| ▸ | ESR1 | P03372 | 2/20 | 0.44 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.44 |
| ▸ | HSD17B2 | P37059 | 3/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | CA5A | P35218 | 1/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.43 |
| ▸ | ESRRA | P11474 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL172723 | 0.92 | PKM (0.57) | HSD17B1HTTSMN1; SMN2PKMDYRK1A | |
| SCHEMBL1758781 | 0.82 | HTT (0.75) | HSD17B1HTTSMN1; SMN2PKMDYRK1A | |
| 4-Hydroxyacetophenone SCHEMBL8934912 | 0.81 | HSD17B1 (0.85) | HSD17B1HTTSMN1; SMN2PKMESR1 | |
| 4-Hydroxyacetophenone SCHEMBL40866 | 0.81 | HSD17B1 (0.85) | HSD17B1HTTSMN1; SMN2PKMESR1 | |
| Paraben SCHEMBL8851014 | 0.81 | CA12 (0.61) | HTTSMN1; SMN2DYRK1ADYRK1BBACE1 | |
| SCHEMBL31574452 | 0.79 | HTT (0.70) | HSD17B1HTTSMN1; SMN2PKMDYRK1A | |
| SCHEMBL31574447 | 0.79 | HTT (0.70) | HSD17B1HTTSMN1; SMN2PKMDYRK1A | |
| 4-Hydroxyacetophenone SCHEMBL8744798 | 0.79 | HSD17B1 (0.81) | HSD17B1HTTSMN1; SMN2PKMESR1 | |
| 4-Hydroxyacetophenone SCHEMBL31385561 | 0.79 | HSD17B1 (0.81) | HSD17B1HTTSMN1; SMN2PKMESR1 | |
| 4-Hydroxyacetophenone SCHEMBL28895846 | 0.79 | HSD17B1 (0.81) | HSD17B1HTTSMN1; SMN2PKMESR1 |
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-0395697-A4 | QUINOLINE DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D 4? | — | 1991-03-13 | — | — | EP | disclosed |
| EP-0395697-A1 | QUINOLINE DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D 4 | RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) | 1990-11-07 | — | — | EP | disclosed |
| WO-1989004303-A1 | QUINOLINE DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D4 | RORER INTERNATIONAL (OVERSEAS) INC. (US) | 1989-05-18 | — | — | WO | disclosed |