Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.46 |
| ▸ | RAB9A | P51151 | 4/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.42 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.42 |
| ▸ | RELA | Q04206 | 1/20 | 0.42 |
| ▸ | NOS3 | P29474 | 1/20 | 0.35 |
| ▸ | NOS1 | P29475 | 1/20 | 0.35 |
| ▸ | NOS2 | P35228 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 6/20 | 0.33 |
| ▸ | BCHE | P06276 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL5729337 | 0.71 | KMT2A (0.43) | NPC1RAB9AKMT2AMEN1SMN1; SMN2 | |
| SCHEMBL22782149 | 0.69 | NPC1 (0.54) | NPC1RAB9AKMT2AMEN1SMN1; SMN2 | |
| SCHEMBL3022267 | 0.69 | KMT2A (0.51) | NPC1RAB9AKMT2AMEN1SMN1; SMN2 | |
| SCHEMBL3703843 | 0.69 | NPC1 (0.51) | NPC1RAB9AKMT2AMEN1SMN1; SMN2 | |
| SCHEMBL18537415 | 0.69 | NPC1 (0.41) | NPC1RAB9AKMT2AMEN1SMN1; SMN2 | |
| SCHEMBL11706723 | 0.67 | NPC1 (0.49) | NPC1RAB9AKMT2AMEN1SMN1; SMN2 | |
| SCHEMBL2539104 | 0.64 | NPC1 (0.36) | NPC1RAB9AKMT2AMEN1SMN1; SMN2 | |
| SCHEMBL1255973 | 0.63 | — | — | |
| SCHEMBL11770529 | 0.63 | RAB9A (1.00) | NPC1RAB9AKMT2AMEN1SMN1; SMN2 | |
| SCHEMBL5345943 | 0.62 | ALDH1A1 (0.42) | NPC1RAB9AKMT2AMEN1LMNA |
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-1420644-B1 | SUBSTITUTED PROPARGYLAMINES | BAYER CROPSCIENCE SA (FR) | 2006-05-31 | — | — | EP | disclosed |