Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 7/20 | 0.52 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.52 |
| ▸ | CA1 | P00915 | 2/20 | 0.48 |
| ▸ | CA2 | P00918 | 1/20 | 0.48 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | MMP2 | P08253 | 1/20 | 0.44 |
| ▸ | TGM2 | P21980 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.41 |
| ▸ | TRPV1 | Q8NER1 | 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 | |
|---|---|---|---|---|
| SCHEMBL1921455 | 0.78 | EPHX2 (0.56) | KIF11EPHX2CA1CA2RAB9A | |
| SCHEMBL394422 | 0.78 | EPHX2 (0.56) | KIF11EPHX2CA1CA2RAB9A | |
| SCHEMBL63468 | 0.76 | ALDH1A1 (0.67) | KIF11EPHX2ALDH1A1TSHR | |
| SCHEMBL9622227 | 0.76 | KIF11 (0.54) | KIF11EPHX2CA1CA2CA12 | |
| SCHEMBL378918 | 0.74 | CA1 (0.54) | KIF11EPHX2CA1CA2CA12 | |
| SCHEMBL11023642 | 0.74 | EPHX2 (0.58) | KIF11EPHX2CA1CA2CA12 | |
| SCHEMBL1776928 | 0.74 | KIF11 (0.52) | KIF11EPHX2CA1CA2CA12 | |
| SCHEMBL16274236 | 0.74 | MAPT (0.45) | — | |
| SCHEMBL14674966 | 0.74 | KIF11 (0.52) | KIF11EPHX2CA1CA2CA12 | |
| SCHEMBL12364124 | 0.74 | TSHR (0.48) | KIF11EPHX2CA1CA2NPC1 |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2022268145-A1 | AMIDE COMPOUND, AND PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF | 中国科学院上海药物研究所 | 2022-12-29 | — | — | WO | disclosed |
| CN-115504940-A | Amide compound, preparation method and pharmaceutical application thereof | 中国科学院上海药物研究所 | 2022-12-23 | — | — | CN | disclosed |
| CN-101265224-B | Method for preparing 4-trifluoromethylmercaptoaniline | JINTAN LINGYUN CHEMICAL FACTORY | 2010-12-08 | — | — | CN | disclosed |
| US-5095032-A | PARASITICIDAL NEW SUBSTITUTED THIENOPYRANONES | BAYER AKTIENGESELLSCHAFT (DE) | 1992-03-10 | — | — | US | disclosed |
| US-4804655-A | Pesticidal cyclic malonylphosphonic diamides | BAYER AKTIENGESELLSCHAFT (DE) | 1989-02-14 | — | — | US | disclosed |
| US-4771048-A | VETERINARY MEDICINE | BAYER AKTIENGESELLSCHAFT (DE) | 1988-09-13 | — | — | US | disclosed |
| US-4766144-A | 3-carbamoyl-4-hydroxy-coumarins for combating parasitic heiminths | BAYER AKTIENGESELLSCHAFT (DE) | 1988-08-23 | — | — | US | disclosed |
| US-4459304-A | MITICIDES, NEMATOCIDES, FUNGICIDES, BACTERICIDES, INSECTICIDES | BAYER AKTIENGESELLSCHAFT (DE) | 1984-07-10 | — | — | US | disclosed |
| US-4318919-A | Combating bacteria with tetrachlorophthalamic acids | BAYER AKTIENGESELLSCHAFT (DE) | 1982-03-09 | — | — | US | disclosed |
| US-4277499-A | Combating insects with N-(substituted-phenyl)-N-(2-chloro-6-fluoro-benzoyl)-ureas | BAYER AKTIENGESELLSCHAFT (DE) | 1981-07-07 | — | — | US | disclosed |
| US-4276310-A | ARTHROPODICIDES, FUNGICIDES, BACTERICIDES | BAYER AKTIENGESELLSCHAFT (DE) | 1981-06-30 | — | — | US | disclosed |