Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 9/20 | 0.56 |
| ▸ | RAB9A | P51151 | 7/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.55 |
| ▸ | POLB | P06746 | 1/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.53 |
| ▸ | LMNA | P02545 | 2/20 | 0.51 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.51 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.51 |
| ▸ | RELA | Q04206 | 1/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.49 |
| ▸ | ELANE | P08246 | 2/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL18039532 | 0.88 | NPC1 (0.54) | NPC1RAB9AALDH1A1SMN1; SMN2POLB | |
| SCHEMBL18039505 | 0.88 | NPC1 (0.54) | NPC1RAB9AALDH1A1SMN1; SMN2POLB | |
| SCHEMBL14019454 | 0.87 | NPC1 (0.69) | NPC1RAB9AALDH1A1SMN1; SMN2POLB | |
| SCHEMBL18039541 | 0.86 | NPC1 (0.52) | NPC1RAB9AALDH1A1SMN1; SMN2POLB | |
| SCHEMBL18039620 | 0.86 | NPC1 (0.52) | NPC1RAB9AALDH1A1SMN1; SMN2POLB | |
| SCHEMBL718714 | 0.85 | NPC1 (0.56) | NPC1RAB9AALDH1A1SMN1; SMN2POLB | |
| SCHEMBL18039440 | 0.85 | NPC1 (0.51) | NPC1RAB9AALDH1A1SMN1; SMN2POLB | |
| SCHEMBL18039473 | 0.85 | NPC1 (0.51) | NPC1RAB9AALDH1A1SMN1; SMN2POLB | |
| SCHEMBL4554346 | 0.84 | NPC1 (0.77) | NPC1RAB9AALDH1A1SMN1; SMN2POLB | |
| SCHEMBL18039534 | 0.84 | NPC1 (0.50) | NPC1RAB9AALDH1A1SMN1; SMN2POLB |
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-3262035-A1 | ALKYNYL ALCOHOLS AND METHODS OF USE | F. Hoffmann-La Roche AG (CH) | 2018-01-03 | — | — | EP | disclosed |
| WO-2016135163-A1 | ALKYNYL ALCOHOLS AND METHODS OF USE | F. HOFFMANN-LA ROCHE AG (CH) | 2016-09-01 | — | — | WO | disclosed |
| WO-2016135163-A1 | ALKYNYL ALCOHOLS AND METHODS OF USE | F. HOFFMANN-LA ROCHE AG (CH) | 2016-09-01 | — | — | WO | disclosed |