Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 5/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.35 |
| ▸ | ESR1 | P03372 | 2/20 | 0.35 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.35 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.35 |
| ▸ | TACR2 | P21452 | 2/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.35 |
| ▸ | TP53 | P04637 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | SHBG | P04278 | 1/20 | 0.35 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.35 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.35 |
| ▸ | HTR2C | P28335 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9330220 | 1.00 | KCNH2 (0.38) | KCNH2MEN1KMT2APTGS2ESR1 | |
| SCHEMBL5328557 | 0.98 | MEN1 (0.37) | KCNH2MEN1KMT2APTGS2TP53 | |
| SCHEMBL3595125 | 0.93 | KMT2A (0.41) | MEN1KMT2ASLC6A3TYR | |
| SCHEMBL206972 | 0.85 | MEN1 (0.33) | MEN1KMT2A | |
| SCHEMBL1940072 | 0.81 | PTGS2 (0.37) | KCNH2MEN1KMT2APTGS2ESR1 | |
| SCHEMBL1778766 | 0.80 | PTGS2 (0.36) | KCNH2MEN1KMT2APTGS2ESR1 | |
| SCHEMBL1778966 | 0.80 | PTGS2 (0.44) | PTGS2ESR1ADRA2AADORA3TACR2 | |
| SCHEMBL827972 | 0.80 | PTGS2 (0.44) | PTGS2ESR1ADRA2AADORA3TACR2 | |
| SCHEMBL283991 | 0.80 | PTGS2 (0.44) | PTGS2ESR1ADRA2AADORA3TACR2 | |
| SCHEMBL8709834 | 0.80 | PTGS2 (0.36) | KCNH2MEN1KMT2APTGS2ESR1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3558976-A1 | SUBSTITUTED AZOLYLPYRROLONES AND AZOLYLHYDANTOINES AND SALTS THEREOF AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES | Bayer CropScience Aktiengesellschaft (DE) | 2019-10-30 | — | — | EP | disclosed |
| EP-2588480-A2 | 3,4-DIHYDROPYRROLO[1,2-A]PYRAZINE-2,8(1H)-DICARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF& xA; | SANOFI (FR) | 2013-05-08 | — | — | EP | disclosed |
| WO-2011161537-A2 | 3,4-DIHYDROPYRROLO[1,2-A]PYRAZINE-2,8(1H)-DICARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF | SANOFI (FR) | 2011-12-29 | — | — | WO | disclosed |
| WO-1993023398-A1 | SUBSTITUTED PYRIDO[1,2-A]PYRIMIDINONE DERIVATIVES AS FUNGICIDES | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1993-11-25 | — | — | WO | disclosed |
| EP-0027759-B1 | SPIRO-DERIVATIVES, PROCESS FOR THEIR PREPARATION AND MEDICINES CONTAINING THEM | ETABLISSEMENTS NATIVELLE S.A. (FR) | 1983-10-12 | — | — | EP | disclosed |