Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.37 |
| ▸ | THPO | P40225 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | HTR2B | P41595 | 2/20 | 0.35 |
| ▸ | NOS3 | P29474 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | GMNN | O75496 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL14095078 | 0.76 | NPC1 (0.30) | CYP1A2CYP3A4NPC1SMN1; SMN2 | |
| SCHEMBL6631265 | 0.74 | NOS3 (0.43) | TAAR1KMT2AMEN1NPC1HTR2B | |
| SCHEMBL14457926 | 0.72 | MAPT (0.38) | TAAR1KMT2AMEN1NPC1GAA | |
| SCHEMBL6986638 | 0.72 | NOS3 (0.39) | TAAR1CYP1A2CYP3A4PKMTSHR | |
| SCHEMBL6988543 | 0.71 | TAAR1 (0.51) | TAAR1NPC1SMN1; SMN2MAPTALDH1A1 | |
| SCHEMBL9628244 | 0.67 | MEN1 (0.51) | KMT2AMEN1NPC1GAASMN1; SMN2 | |
| SCHEMBL4868568 | 0.65 | KMT2A (0.37) | KMT2AMEN1NPC1GAANOS3 | |
| SCHEMBL6975369 | 0.65 | CYP1A2 (0.38) | TAAR1CYP1A2CYP3A4PKMTSHR | |
| SCHEMBL6912342 | 0.64 | CYP1A2 (0.41) | TAAR1CYP1A2CYP3A4TSHRNFKB1 | |
| SCHEMBL12515987 | 0.64 | TAAR1 (0.46) | TAAR1CYP1A2CYP3A4KMT2AMEN1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6255328-B1 | INSECTICIDES | BAYER AKTIENGESELLSCHAFT (DE) | 2001-07-03 | — | — | US | disclosed |
| US-5973162-A | 2-(4-(P-(P-(TRIFLUOROMETHYLTHIO)PHENYL)PHENYL)THIAZOLIN-2-YL) 1,3-DIFLUOROBENZENE | BAYER AKTIENGESELLSCHAFT (DE) | 1999-10-26 | — | — | US | disclosed |