Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.66 |
| ▸ | ACHE | P22303 | 1/20 | 0.66 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.61 |
| ▸ | PGR | P06401 | 1/20 | 0.61 |
| ▸ | GAA | P10253 | 1/20 | 0.61 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.61 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.61 |
| ▸ | ATM | Q13315 | 1/20 | 0.58 |
| ▸ | CA12 | O43570 | 1/20 | 0.52 |
| ▸ | CA1 | P00915 | 1/20 | 0.52 |
| ▸ | CA2 | P00918 | 1/20 | 0.52 |
| ▸ | CA4 | P22748 | 1/20 | 0.52 |
| ▸ | CA7 | P43166 | 1/20 | 0.52 |
| ▸ | CA9 | Q16790 | 1/20 | 0.52 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.52 |
| ▸ | LIPE | Q05469 | 1/20 | 0.50 |
| ▸ | STAT3 | P40763 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | PLK1 | P53350 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL6614700 | 0.82 | CTSD (0.58) | ALDH1A1ACHEHSD17B10GAAPTGS1 | |
| 1,2-Dimethoxybenzene SCHEMBL9643832 | 0.81 | CA12 (0.59) | ALDH1A1HSD17B10CA12CA1CA2 | |
| SCHEMBL8927729 | 0.80 | ALDH1A1 (0.61) | ALDH1A1ACHEHSD17B10PGRGAA | |
| SCHEMBL92889 | 0.80 | ALDH1A1 (0.61) | ALDH1A1ACHEHSD17B10PGRGAA | |
| SCHEMBL31527768 | 0.79 | ATM (0.77) | ALDH1A1GAAATMPOLBSMN1; SMN2 | |
| SCHEMBL5569950 | 0.79 | ALDH1A1 (0.60) | ALDH1A1ACHEHSD17B10PGRGAA | |
| SCHEMBL9325544 | 0.79 | ALDH1A1 (0.60) | ALDH1A1ACHEHSD17B10PGRGAA | |
| Propoxur SCHEMBL6357408 | 0.79 | ALDH1A1 (1.00) | ALDH1A1ACHEHSD17B10PGRGAA | |
| Propoxur SCHEMBL27794 | 0.79 | ALDH1A1 (1.00) | ALDH1A1ACHEHSD17B10PGRGAA | |
| SCHEMBL982771 | 0.79 | HSD17B10 (0.63) | ALDH1A1HSD17B10ATMCA12CA1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2119720-A1 | NOVEL VINBLASTINE DERIVATIVES, THEIR PREPARATION, USE AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAID DERIVATIVES | Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) | 2009-11-18 | — | — | EP | disclosed |
| US-5365691-A | Methods and agents for combating cockroaches | BAYER AKTIENGESELLSCHAFT (DE) | 1994-11-22 | — | — | US | disclosed |
| US-4067990-A | SOLUTION OF A PHENYL N-METHYL CARBAMATE | AIRWICK INDUSTRIES, INC. (US) | 1978-01-10 | — | — | US | disclosed |