Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.52 |
| ▸ | MAPT | P10636 | 5/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.52 |
| ▸ | NPC1 | O15118 | 2/20 | 0.52 |
| ▸ | RAB9A | P51151 | 2/20 | 0.52 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.52 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.52 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.52 |
| ▸ | RELA | Q04206 | 1/20 | 0.52 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.52 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.51 |
| ▸ | HDAC4 | P56524 | 3/20 | 0.51 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.51 |
| ▸ | HDAC7 | Q8WUI4 | 3/20 | 0.51 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.51 |
| ▸ | HDAC10 | Q969S8 | 3/20 | 0.51 |
| ▸ | HDAC11 | Q96DB2 | 3/20 | 0.51 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.51 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL7278612 | 0.86 | HDAC3 (0.59) | ALDH1A1SMN1; SMN2HDAC3HDAC4HDAC1 | |
| SCHEMBL7937674 | 0.75 | HDAC1 (0.67) | ALDH1A1MAPTSMN1; SMN2NPC1RAB9A | |
| SCHEMBL10361981 | 0.73 | HTT (0.54) | ALDH1A1MAPTSMN1; SMN2NPC1RAB9A | |
| Benzenemethanethiol SCHEMBL7273064 | 0.73 | ALDH1A1 (0.61) | ALDH1A1MAPTSMN1; SMN2NPC1RAB9A | |
| Hydrochloric Acid SCHEMBL27468516 | 0.73 | MAPT (0.57) | ALDH1A1MAPTSMN1; SMN2NPC1RAB9A | |
| SCHEMBL12585094 | 0.72 | FNTA (0.85) | ALDH1A1MAPTSMN1; SMN2FNTAFNTB | |
| SCHEMBL12442271 | 0.72 | FNTA (0.68) | ALDH1A1MAPTHDAC3HDAC4HDAC1 | |
| SCHEMBL29828250 | 0.72 | HDAC3 (0.64) | ALDH1A1MAPTSMN1; SMN2HDAC3HDAC4 | |
| SCHEMBL30805762 | 0.72 | HDAC3 (0.64) | ALDH1A1MAPTSMN1; SMN2HDAC3HDAC4 | |
| SCHEMBL29522596 | 0.72 | ALDH1A1 (0.60) | ALDH1A1MAPTSMN1; SMN2NPC1RAB9A |
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-0115997-A2 | Derivatives of omega mercaptopropanamides, and their homologues, process for their preparation, their use as medicines, compositions containing them and intermediates obtained | ROUSSEL-UCLAF (FR) | 1984-08-15 | — | — | EP | disclosed |