Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 3/20 | 0.52 |
| ▸ | AKR1C2 | P52895 | 3/20 | 0.52 |
| ▸ | AKR1C1 | Q04828 | 3/20 | 0.52 |
| ▸ | AKR1C4 | P17516 | 2/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.41 |
| ▸ | HSPE1 | P61604 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | LCK | P06239 | 2/20 | 0.38 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.38 |
| ▸ | EGFR | P00533 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL6354671 | 0.85 | ALDH1A1 (0.44) | ALDH1A1MEN1KMT2ALMNACYP1A2 | |
| SCHEMBL8773870 | 0.83 | ALDH1A1 (0.43) | AKR1C3AKR1C2AKR1C1AKR1C4HSD17B10 | |
| SCHEMBL7985780 | 0.82 | AKR1C3 (0.52) | AKR1C3AKR1C2AKR1C1AKR1C4HSD17B10 | |
| SCHEMBL950710 | 0.81 | AKR1C3 (0.55) | AKR1C3AKR1C2AKR1C1AKR1C4HSD17B10 | |
| SCHEMBL21979989 | 0.78 | ALDH1A1 (0.45) | HSD17B10ALDH1A1MEN1KMT2ACYP1A2 | |
| SCHEMBL31218457 | 0.78 | ALDH1A1 (0.45) | HSD17B10ALDH1A1MEN1KMT2ACYP1A2 | |
| SCHEMBL25096707 | 0.76 | ALDH1A1 (0.42) | ALDH1A1MEN1KMT2AMAPTHTT | |
| SCHEMBL1309308 | 0.76 | MAPT (0.49) | ALDH1A1HSPD1HSPE1CYP1A2MAPT | |
| SCHEMBL31210947 | 0.74 | ALOX15 (0.47) | HSD17B10ALDH1A1KDM4EMEN1KMT2A | |
| SCHEMBL7223178 | 0.74 | ALDH1A1 (0.46) | ALDH1A1MEN1KMT2AMAPTPTGS1 |
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-5783577-A | COMBINATORIAL LIBRARY FOR DRUG SCREENING | TREGA BIOSCIENCES, INC. (US) | 1998-07-21 | — | — | US | disclosed |
| WO-1998011438-A1 | SYNTHESIS OF QUINAZOLINONE LIBRARIES AND DERIVATIVES THEREOF | TREGA BIOSCIENCES, INC. (US) | 1998-03-19 | — | — | WO | disclosed |
| WO-1997010221-A1 | SYNTHESIS OF QUINAZOLINONE LIBRARIES | TORREY PINES INSTITUTE FOR MOLECULAR STUDIES (US) | 1997-03-20 | — | — | WO | disclosed |