Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 7/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | GFER | P55789 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | PHLPP2 | Q6ZVD8 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28168182 | 0.81 | ALDH1A1 (0.46) | TDP1ALDH1A1CYP3A4MAPK1TSHR | |
| SCHEMBL27700429 | 0.79 | ALDH1A1 (0.41) | TDP1ALDH1A1ALOX15TSHRMAPT | |
| SCHEMBL28168179 | 0.79 | APP (0.39) | TDP1ALDH1A1CYP3A4MAPK1TP53 | |
| SCHEMBL27294646 | 0.78 | HTT (0.43) | ALDH1A1ALOX15TSHRKDM4EMEN1 | |
| SCHEMBL27297501 | 0.76 | CYP2A6 (0.55) | ALDH1A1TSHRMAPTKDM4E | |
| SCHEMBL27350154 | 0.75 | — | — | |
| SCHEMBL27809709 | 0.75 | ALDH1A1 (0.41) | TDP1ALDH1A1TSHRGFERMAPT | |
| SCHEMBL11412262 | 0.73 | TDP1 (0.56) | TDP1ALDH1A1CYP3A4MAPK1TP53 | |
| SCHEMBL9818401 | 0.71 | TDP1 (0.48) | TDP1ALDH1A1CYP3A4MAPK1TP53 | |
| SCHEMBL27787739 | 0.71 | MAPT (0.42) | TDP1ALDH1A1MAPK1TP53L3MBTL1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1113874-C | Benzocycloalkylazolethione derivatives | SYNTEX INC (US) | 2003-07-09 | — | — | CN | claimed |
| CN-1151735-A | Benzocycloalkylazolethione derivatives | SYNTEX INC (US) | 1997-06-11 | — | — | CN | claimed |
| CN-1113874-C | Benzocycloalkylazolethione derivatives | SYNTEX INC (US) | 2003-07-09 | — | — | CN | disclosed |
| CN-1151735-A | Benzocycloalkylazolethione derivatives | SYNTEX INC (US) | 1997-06-11 | — | — | CN | disclosed |