Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.68 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.68 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.55 |
| ▸ | MEN1 | O00255 | 3/20 | 0.55 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.53 |
| ▸ | ATM | Q13315 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.48 |
| ▸ | GAA | P10253 | 2/20 | 0.46 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.46 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL9384288 | 0.93 | ALDH1A1 (0.68) | ALDH1A1SMN1; SMN2KMT2AMEN1NPSR1 | |
| SCHEMBL4318924 | 0.88 | ALDH1A1 (0.69) | ALDH1A1SMN1; SMN2KMT2AMEN1NPSR1 | |
| SCHEMBL9382720 | 0.85 | KMT2A (0.75) | ALDH1A1SMN1; SMN2KMT2AMEN1NPSR1 | |
| SCHEMBL9384430 | 0.84 | ALDH1A1 (0.58) | ALDH1A1SMN1; SMN2KMT2AMEN1NPSR1 | |
| SCHEMBL9380390 | 0.82 | ALDH1A1 (0.59) | ALDH1A1SMN1; SMN2KMT2AMEN1NPSR1 | |
| SCHEMBL10366070 | 0.81 | ALDH1A1 (1.00) | ALDH1A1SMN1; SMN2KMT2AMEN1NPSR1 | |
| SCHEMBL2976362 | 0.80 | ALDH1A1 (0.85) | ALDH1A1SMN1; SMN2KMT2AMEN1NPSR1 | |
| SCHEMBL9380566 | 0.79 | HTT (0.65) | ALDH1A1SMN1; SMN2NPSR1CYP1A2CYP2C9 | |
| SCHEMBL9380212 | 0.78 | HTT (0.63) | ALDH1A1SMN1; SMN2NPSR1CYP1A2CYP2C9 | |
| SCHEMBL4306813 | 0.78 | ALDH1A1 (0.57) | ALDH1A1SMN1; SMN2KMT2AMEN1NPSR1 |
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-0336494-B1 | Triazine herbicides | SHELL INT RESEARCH (NL) | 1994-06-29 | — | — | EP | disclosed |
| US-5062882-A | TRIAZINE HERBICIDES | SHELL INTERNATIONAL RESEARCH MAATSCHAPPIJ B. V. (NL) | 1991-11-05 | — | — | US | disclosed |
| EP-0336494-A2 | Triazine herbicides | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1989-10-11 | — | — | EP | disclosed |