Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4A | P27815 | 5/20 | 0.45 |
| ▸ | CDK1 | P06493 | 1/20 | 0.42 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.42 |
| ▸ | GSK3A | P49840 | 1/20 | 0.42 |
| ▸ | GSK3B | P49841 | 1/20 | 0.42 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.42 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.42 |
| ▸ | PDE4D | Q08499 | 5/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.40 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL10693011 | 0.91 | CDK1 (0.50) | PDE4ACDK1CCNB1GSK3AGSK3B | |
| SCHEMBL10693119 | 0.83 | ALDH1A1 (0.46) | ALDH1A1KDM4EMAPTLMNANPSR1 | |
| SCHEMBL10692102 | 0.79 | LMNA (0.44) | PDE4DALDH1A1MAPTTDP1LMNA | |
| SCHEMBL11073178 | 0.79 | CA2 (0.43) | ALDH1A1KDM4EMAPTTDP1LMNA | |
| SCHEMBL11062281 | 0.78 | ABCB1 (0.44) | ALDH1A1KDM4ELMNANPSR1GAA | |
| SCHEMBL339072 | 0.78 | ALDH1A1 (0.47) | ALDH1A1KDM4EMAPTTDP1GAA | |
| SCHEMBL10691577 | 0.77 | NPC1 (0.50) | ALDH1A1KDM4EMAPTTDP1LMNA | |
| SCHEMBL1653589 | 0.77 | ALDH1A1 (0.41) | ALDH1A1KDM4EMAPTTDP1GAA | |
| SCHEMBL11073531 | 0.76 | ALDH1A1 (0.43) | ALDH1A1MAPTTDP1LMNANPSR1 | |
| SCHEMBL11281281 | 0.75 | ALDH1A1 (0.44) | ALDH1A1KDM4EMAPTTDP1LMNA |
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-4595768-A | 3-(substituted phenyl)phthalides | THE HILTON-DAVIS CHEMICAL CO. (US) | 1986-06-17 | — | — | 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 |