Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 7/20 | 0.56 |
| ▸ | RAB9A | P51151 | 7/20 | 0.56 |
| ▸ | PKM | P14618 | 2/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.56 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.56 |
| ▸ | THPO | P40225 | 1/20 | 0.56 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.56 |
| ▸ | GRM5 | P41594 | 1/20 | 0.56 |
| ▸ | BLM | P54132 | 1/20 | 0.56 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.56 |
| ▸ | NFE2L2 | Q16236 | 6/20 | 0.47 |
| ▸ | MAOB | P27338 | 3/20 | 0.44 |
| ▸ | MAOA | P21397 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 3/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7573586 | 0.79 | NPSR1 (0.45) | CYP1A2CYP2D6MAPK1MEN1KMT2A | |
| SCHEMBL7572620 | 0.79 | NPC1 (0.56) | NPC1RAB9APKMCYP1A2MAPK1 | |
| SCHEMBL7575022 | 0.79 | CHRM5 (0.56) | NPC1RAB9ACYP1A2CYP2D6CHRM5 | |
| SCHEMBL7573616 | 0.78 | NPC1 (0.41) | NPC1RAB9ACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL3444467 | 0.77 | LMNA (0.46) | NPC1RAB9ASMN1; SMN2MEN1KMT2A | |
| SCHEMBL13107935 | 0.77 | LMNA (0.46) | NPC1RAB9ASMN1; SMN2MEN1KMT2A | |
| SCHEMBL3444466 | 0.77 | LMNA (0.46) | NPC1RAB9ASMN1; SMN2MEN1KMT2A | |
| SCHEMBL9116986 | 0.76 | CA12 (0.33) | NPC1CHRM5SMN1; SMN2 | |
| SCHEMBL7579153 | 0.76 | CHRM5 (0.60) | NPC1RAB9ACYP1A2CYP3A4CHRM5 | |
| SCHEMBL2588068 | 0.74 | NPC1 (0.58) | NPC1RAB9APKMCYP1A2CYP3A4 |
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-0810199-B1 | Method for producing propargylamine compounds | SUMITOMO CHEMICAL CO (JP) | 2002-09-25 | — | — | EP | disclosed |
| US-5756769-A | Method for producing propargylamine compounds | SUMITOMO CHEMICAL COMPANY, LTD. (JP) | 1998-05-26 | — | — | US | disclosed |
| EP-0810199-A1 | Method for producing propargylamine compounds | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1997-12-03 | — | — | EP | disclosed |