Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | DRD2 | P14416 | 1/20 | 0.40 |
| ▸ | DRD1 | P21728 | 1/20 | 0.40 |
| ▸ | DRD4 | P21917 | 1/20 | 0.40 |
| ▸ | DRD5 | P21918 | 1/20 | 0.40 |
| ▸ | DRD3 | P35462 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 5/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.36 |
| ▸ | GRK6 | P43250 | 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 | |
|---|---|---|---|---|
| SCHEMBL37659 | 0.79 | — | — | |
| SCHEMBL11274731 | 0.73 | MEN1 (0.53) | CYP3A4LMNANPC1RAB9AMAPK1 | |
| Pyridine SCHEMBL28967270 | 0.69 | CTSC (0.40) | CYP3A4TSHRDRD1RAB9ATAAR1 | |
| Nitrogen SCHEMBL28338057 | 0.69 | CYP3A4 (0.89) | CYP3A4TSHRL3MBTL1LMNANPC1 | |
| SCHEMBL8308433 | 0.69 | TDP1 (0.44) | CYP3A4L3MBTL1NPC1RAB9ATAAR1 | |
| SCHEMBL29748318 | 0.69 | CYP3A4 (0.46) | CYP3A4TSHRMAPK1HSD17B10ALDH1A1 | |
| SCHEMBL5040154 | 0.69 | CYP3A4 (0.46) | CYP3A4TSHRLMNATAAR1HSD17B10 | |
| SCHEMBL29417504 | 0.69 | — | — | |
| SCHEMBL5652811 | 0.69 | CYP3A4 (0.46) | CYP3A4TSHRMAPK1HSD17B10ALDH1A1 | |
| SCHEMBL203854 | 0.69 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0048039-A1 | Compounds that contain a heterocycle, process for their preparation, compositions containing them for regulating the growth of plants, and their use | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1982-03-24 | — | — | EP | disclosed |