Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.67 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.67 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.67 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.67 |
| ▸ | HPGD | P15428 | 1/20 | 0.67 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.67 |
| ▸ | MEN1 | O00255 | 3/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.55 |
| ▸ | EDNRB | P24530 | 1/20 | 0.37 |
| ▸ | EDNRA | P25101 | 1/20 | 0.37 |
| ▸ | MAOB | P27338 | 2/20 | 0.37 |
| ▸ | MAOA | P21397 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | CES1 | P23141 | 1/20 | 0.35 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.35 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.35 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9481735 | 0.90 | ALDH1A1 (0.82) | CYP3A4ALDH1A1HSD17B10TDP1HPGD | |
| SCHEMBL10689289 | 0.90 | ALDH1A1 (0.82) | CYP3A4ALDH1A1HSD17B10TDP1HPGD | |
| SCHEMBL10692980 | 0.86 | CYP3A4 (0.54) | CYP3A4ALDH1A1HSD17B10TDP1HPGD | |
| SCHEMBL10692785 | 0.85 | CYP3A4 (0.69) | CYP3A4ALDH1A1HSD17B10TDP1HPGD | |
| SCHEMBL5670276 | 0.84 | CYP3A4 (0.75) | CYP3A4ALDH1A1HSD17B10TDP1HPGD | |
| SCHEMBL10693003 | 0.84 | ALDH1A1 (0.67) | CYP3A4ALDH1A1HSD17B10TDP1HPGD | |
| SCHEMBL10935899 | 0.83 | TDP1 (0.69) | CYP3A4ALDH1A1HSD17B10TDP1HPGD | |
| SCHEMBL27188 | 0.81 | ALDH1A1 (1.00) | CYP3A4ALDH1A1HSD17B10TDP1HPGD | |
| SCHEMBL18143522 | 0.81 | ALDH1A1 (1.00) | CYP3A4ALDH1A1HSD17B10TDP1HPGD | |
| SCHEMBL10858937 | 0.81 | ALDH1A1 (0.65) | CYP3A4ALDH1A1HSD17B10TDP1HPGD |
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 |
|---|---|---|---|---|---|---|---|
| US-4732991-A | Substituted phthalides | HILTON DAVIS CHEMICAL CO. (US) | 1988-03-22 | — | — | US | claimed |
| US-4732991-A | Substituted phthalides | HILTON DAVIS CHEMICAL CO. (US) | 1988-03-22 | — | — | US | disclosed |
| US-4595768-A | 3-(substituted phenyl)phthalides | THE HILTON-DAVIS CHEMICAL CO. (US) | 1986-06-17 | — | — | US | disclosed |