Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.61 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.57 |
| ▸ | MEN1 | O00255 | 2/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.57 |
| ▸ | POLB | P06746 | 1/20 | 0.57 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.56 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.54 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.54 |
| ▸ | ACHE | P22303 | 1/20 | 0.53 |
| ▸ | P2RX1 | P51575 | 1/20 | 0.53 |
| ▸ | LMNA | P02545 | 1/20 | 0.53 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.52 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.52 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.52 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.51 |
| ▸ | GAA | P10253 | 1/20 | 0.51 |
| ▸ | HTT | P42858 | 1/20 | 0.51 |
| ▸ | RAB9A | P51151 | 1/20 | 0.51 |
| ▸ | TP53BP1 | Q12888 | 1/20 | 0.51 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL30758861 | 0.90 | CES2 (0.69) | CES2KMT2AMEN1ALDH1A1POLB | |
| SCHEMBL3032732 | 0.85 | CTNNB1 (0.60) | CES2KMT2AMEN1ALDH1A1POLB | |
| SCHEMBL28882273 | 0.85 | CES2 (0.62) | CES2KMT2AMEN1ALDH1A1POLB | |
| SCHEMBL1421024 | 0.85 | CES2 (0.62) | CES2KMT2AMEN1ALDH1A1POLB | |
| Trifluoromethylbenzene SCHEMBL28705987 | 0.85 | PTPN1 (0.56) | CES2KMT2AMEN1ALDH1A1POLB | |
| SCHEMBL449754 | 0.84 | NPSR1 (0.57) | CES2KMT2AMEN1ALDH1A1POLB | |
| SCHEMBL19524652 | 0.84 | CES2 (0.57) | CES2KMT2AMEN1ALDH1A1POLB | |
| SCHEMBL4314619 | 0.83 | CES2 (0.61) | CES2KMT2AMEN1ALDH1A1POLB | |
| SCHEMBL1346272 | 0.83 | CES2 (0.61) | CES2KMT2AMEN1ALDH1A1POLB | |
| SCHEMBL311526 | 0.83 | CES2 (0.65) | CES2KMT2AALDH1A1POLBNPSR1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0353902-B1 | SUBSTITUTED PHENYLTRIAZOLOPYRIMIDINE HERBICIDES | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1993-05-05 | — | — | EP | disclosed |
| US-5127936-A | Substituted phenyltriazolopyrimidine herbicides | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1992-07-07 | — | — | US | disclosed |
| WO-1990012012-A1 | SUBSTITUTED PHENYLTRIAZOLOPYRIMIDINE HERBICIDES | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1990-10-18 | — | — | WO | disclosed |
| EP-0353902-A1 | Substituted phenyltriazolopyrimidine herbicides | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1990-02-07 | — | — | EP | disclosed |