Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 7/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 6/20 | 0.39 |
| ▸ | TSHR | P16473 | 6/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | GFER | P55789 | 2/20 | 0.39 |
| ▸ | RECQL | P46063 | 2/20 | 0.39 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.39 |
| ▸ | APP | P05067 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL3675306 | 0.81 | CA2 (0.38) | ALDH1A1CYP3A4TDP1L3MBTL1RECQL | |
| SCHEMBL80211 | 0.79 | ALDH1A1 (0.39) | ALDH1A1TDP1TSHRL3MBTL1APP | |
| SCHEMBL8772724 | 0.79 | TDP1 (0.48) | ALDH1A1CYP3A4TDP1TSHRMAPK1 | |
| SCHEMBL104212 | 0.78 | ALDH1A1 (0.46) | ALDH1A1TDP1TSHRL3MBTL1RECQL | |
| SCHEMBL7716103 | 0.78 | APP (0.42) | ALDH1A1CYP3A4TDP1APPALOX15 | |
| Ammonia Solution, Strong SCHEMBL28490309 | 0.77 | ALDH1A1 (0.45) | ALDH1A1TDP1TSHRL3MBTL1RECQL | |
| Hydrochloric Acid SCHEMBL28957292 | 0.77 | ALDH1A1 (0.45) | ALDH1A1TDP1TSHRL3MBTL1RECQL | |
| SCHEMBL1150096 | 0.75 | CHRM5 (0.38) | ALDH1A1RECQL | |
| SCHEMBL8844230 | 0.75 | ALDH1A1 (0.46) | ALDH1A1APPMAPTKDM4EKMT2A | |
| SCHEMBL29193460 | 0.75 | IDO1 (0.36) | ALDH1A1 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110305036-B | Hydrogen peroxide-responsive nitrogen mustard antitumor prodrug and preparation method thereof | 江南大学 | 2020-09-04 | — | — | CN | claimed |
| CN-110305036-A | A kind of nitrogen mustards anti-tumor predrug and preparation method thereof of hydrogen peroxide response | 江南大学 | 2019-10-08 | — | — | CN | claimed |
| CN-110305036-B | Hydrogen peroxide-responsive nitrogen mustard antitumor prodrug and preparation method thereof | 江南大学 | 2020-09-04 | — | — | CN | disclosed |
| CN-110305036-A | A kind of nitrogen mustards anti-tumor predrug and preparation method thereof of hydrogen peroxide response | 江南大学 | 2019-10-08 | — | — | CN | disclosed |
| CN-1202084-C | Fused benzene heterocycle derivatives and utilization thereof | TORAY INDUSTRIES (JP) | 2005-05-18 | — | — | CN | disclosed |
| US-6407096-B1 | 1,4-BENZOTHIAZINE AND 1,4-BENZOXAZINE DERIVATIVES; HYPOTENSIVE, ANTIISCHEMIC, ANTIALLERGEN, ANTIASTHMATIC AND ANTICOAGULANT AGENTS; CARDIOVASCULAR DISORDERS | TORAY INDUSTRIES, INC. (JP) | 2002-06-18 | — | — | US | disclosed |
| CN-1287553-A | Fused benzene heterocycle derivatives and utilization thereof | TORAY INDUSTRIES (JP) | 2001-03-14 | — | — | CN | disclosed |
| EP-1028113-A1 | FUSED BENZENE HETEROCYCLE DERIVATIVES AND UTILIZATION THEREOF | TORAY INDUSTRIES, INC. (JP) | 2000-08-16 | — | — | EP | disclosed |