Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 5/20 | 0.51 |
| ▸ | RAB9A | P51151 | 5/20 | 0.51 |
| ▸ | MAPT | P10636 | 4/20 | 0.51 |
| ▸ | CASP3 | P42574 | 1/20 | 0.51 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.51 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.51 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | LMNA | P02545 | 3/20 | 0.50 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | IDO1 | P14902 | 2/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.48 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.48 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.48 |
| ▸ | RELA | Q04206 | 1/20 | 0.48 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.48 |
| ▸ | APP | P05067 | 1/20 | 0.47 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.46 |
| ▸ | NCOR1 | O75376 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL2272164 | 0.80 | APP (0.69) | NPC1RAB9AMAPTALDH1A1LMNA | |
| SCHEMBL8505182 | 0.78 | NPC1 (0.61) | NPC1RAB9AMAPTALDH1A1POLB | |
| SCHEMBL11024804 | 0.77 | ALDH1A1 (0.61) | NPC1RAB9AALDH1A1POLBIDO1 | |
| SCHEMBL8436880 | 0.77 | IDO1 (0.59) | POLBIDO1EPHX1 | |
| SCHEMBL10823756 | 0.77 | IDO1 (0.59) | ALDH1A1IDO1SMN1; SMN2EPHX1KMT2A | |
| SCHEMBL8488722 | 0.76 | IDO1 (0.62) | NPC1RAB9APOLBIDO1SMN1; SMN2 | |
| SCHEMBL12961799 | 0.76 | ALDH1A1 (0.68) | NPC1RAB9AALDH1A1LMNAPOLB | |
| SCHEMBL7637081 | 0.76 | RAB9A (0.68) | NPC1RAB9AMAPTCASP3SENP8 | |
| SCHEMBL9669890 | 0.73 | IDO1 (0.48) | NPC1RAB9AMAPTALDH1A1IDO1 | |
| SCHEMBL9669886 | 0.73 | IDO1 (0.48) | NPC1RAB9AMAPTALDH1A1IDO1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5136034-A | Reacting an arylaldehyde with mercaptan and thioacyl in presence of acid catalysts; then reacting with electrophile | MERCK FROSST CANADA, INC. (CA) | 1992-08-04 | — | — | US | disclosed |