Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 1/20 | 0.47 |
| ▸ | CTNNB1 | P35222 | 2/20 | 0.45 |
| ▸ | WNT3A | P56704 | 2/20 | 0.45 |
| ▸ | GAA | P10253 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL29514911 | 1.00 | AKR1C3 (0.47) | AKR1C3CTNNB1WNT3AGAAMAPT | |
| SCHEMBL6206600 | 0.88 | ABCG2 (0.44) | CTNNB1WNT3AGAAKDM4CALDH1A1 | |
| SCHEMBL27343882 | 0.87 | CTNNB1 (0.53) | AKR1C3CTNNB1WNT3AGAAMAPT | |
| SCHEMBL29442138 | 0.82 | KDM4C (0.52) | CTNNB1WNT3AKDM4CALDH1A1ABCG2 | |
| SCHEMBL340702 | 0.82 | KDM4C (0.52) | CTNNB1WNT3AKDM4CALDH1A1ABCG2 | |
| Hydrochloric Acid SCHEMBL9236405 | 0.81 | KDM4C (0.51) | CTNNB1WNT3AKDM4CALDH1A1ABCG2 | |
| Biphenyl SCHEMBL27726506 | 0.80 | KDM4C (0.48) | KDM4CALDH1A1ABCG2SMN1; SMN2ATM | |
| SCHEMBL30456847 | 0.79 | MAOB (0.42) | CTNNB1WNT3AGAAKDM4CALDH1A1 | |
| SCHEMBL27909830 | 0.79 | AKR1C3 (0.53) | AKR1C3GAAMAPTALDH1A1SMN1; SMN2 | |
| SCHEMBL23079145 | 0.77 | GSK3B (0.42) | CTNNB1WNT3AGAAKDM4CALDH1A1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1066039-A4 | SUBSTITUTED QUINAZOLINES AND ANALOGS AND THE USE THEREOF | COCENSYS INC (US) | 2003-02-26 | — | — | EP | disclosed |
| EP-1066039-A1 | SUBSTITUTED QUINAZOLINES AND ANALOGS AND THE USE THEREOF | Cocensys, Inc. (US) | 2001-01-10 | — | — | EP | disclosed |
| WO-1999044612-A1 | SUBSTITUTED QUINAZOLINES AND ANALOGS AND THE USE THEREOF | COCENSYS, INC. (US) | 1999-09-10 | — | — | WO | disclosed |
| WO-1996040646-A1 | DIHYDROPHTHALAZINE ANTAGONISTS OF EXCITATORY AMINO ACID RECEPTORS | SYMPHONY PHARMACEUTICALS, INC. (US) | 1996-12-19 | — | — | WO | disclosed |
| US-4169089-A | PHOTOSTABILIZERS FOR POLYMERS | ARGUS CHEMICAL CORPORATION (US) | 1979-09-25 | — | — | US | disclosed |