Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 7/20 | 0.54 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.54 |
| ▸ | CA1 | P00915 | 2/20 | 0.50 |
| ▸ | CA2 | P00918 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.45 |
| ▸ | MMP2 | P08253 | 1/20 | 0.45 |
| ▸ | TGM2 | P21980 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.42 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL1921455 | 0.80 | EPHX2 (0.56) | KIF11EPHX2CA1CA2ALDH1A1 | |
| SCHEMBL394422 | 0.80 | EPHX2 (0.56) | KIF11EPHX2CA1CA2ALDH1A1 | |
| SCHEMBL7267375 | 0.79 | KIF11 (0.50) | KIF11EPHX2CA1CA2ALDH1A1 | |
| SCHEMBL63468 | 0.78 | ALDH1A1 (0.67) | KIF11EPHX2ALDH1A1TSHR | |
| SCHEMBL1776928 | 0.76 | KIF11 (0.52) | KIF11EPHX2CA1CA2ALDH1A1 | |
| SCHEMBL11023642 | 0.76 | EPHX2 (0.58) | KIF11EPHX2CA1CA2CA12 | |
| SCHEMBL9725672 | 0.76 | KIF11 (0.52) | KIF11EPHX2CA1CA2ALDH1A1 | |
| SCHEMBL14674966 | 0.76 | KIF11 (0.52) | KIF11EPHX2CA1CA2ALDH1A1 | |
| SCHEMBL378918 | 0.76 | CA1 (0.54) | KIF11EPHX2CA1CA2ALDH1A1 | |
| SCHEMBL27764151 | 0.76 | KIF11 (0.52) | KIF11EPHX2CA1CA2ALDH1A1 |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110305045-A | A kind of amides compound and its purposes in treating cancer | 成都海创药业有限公司 | 2019-10-08 | — | — | CN | disclosed |
| CN-105622580-B | Benzimidazole as prolyl hydroxylase inhibitors | 詹森药业有限公司 | 2019-06-21 | — | — | CN | disclosed |
| CN-109071518-A | Oxazoline vacation dimer, medical composition and its use | 普渡制药公司 | 2018-12-21 | — | — | CN | disclosed |
| CN-102026985-B | Quinazoline derivatives as RAF kinase modulators and methods and uses thereof | 埃姆比特生物科学公司 | 2016-07-06 | — | — | CN | disclosed |
| CN-105622580-A | Benzoimidazoles as prolyl hydroxylase inhibitors | JANSSEN PHARMACEUTICA NV | 2016-06-01 | — | — | CN | disclosed |
| CN-102076680-B | Benzimidazoles as Prolyl Hydroxylase Inhibitors | JANSSEN PHARMACEUTICA N.V. (BE) | 2016-03-02 | — | — | CN | disclosed |
| CN-102119156-B | Substituted pyrroles and methods of use | GENENTECH INC | 2015-01-21 | — | — | CN | disclosed |
| CN-101927187-B | Catalyst for oligomerization and polymerization of ethylene and preparation method and application thereof | CHINA PETROLEUM & CHEMICAL | 2012-07-04 | — | — | CN | disclosed |
| CN-102076694-A | 5, 6, 7, 8-tetrahydro-imidazo[1, 5-a]pyrazine compounds | ACTELION PHARMACEUTICALS LTD | 2011-05-25 | — | — | CN | disclosed |
| CN-101440090-B | 2-(6'-imine pyridinyl) benzoxazole metal complexes, as well as preparation method and application thereof | CHINESE ACAD INST CHEMISTRY | 2011-01-26 | — | — | CN | disclosed |
| CN-101927187-A | Catalyst for oligomerization and polymerization of ethylene and preparation method and application thereof | CHINA PETROLEUM & CHEMICAL | 2010-12-29 | — | — | CN | disclosed |
| CN-101440090-A | 2-(6'-imine pyridinyl) benzoxazole metal complexes, as well as preparation method and application thereof | CHINESE ACAD INST CHEMISTRY (CN) | 2009-05-27 | — | — | CN | disclosed |
| CN-1227548-A | Substituted p-trifluoromethylphenyluracils | BAYER AG (DE) | 1999-09-01 | — | — | CN | disclosed |
| US-5096928-A | Caterpillars | BAYER AKTIENGESELLSCHAFT (DE) | 1992-03-17 | — | — | US | disclosed |