Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 5/20 | 0.58 |
| ▸ | RAB9A | P51151 | 5/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.57 |
| ▸ | PKM | P14618 | 3/20 | 0.57 |
| ▸ | TP53 | P04637 | 2/20 | 0.57 |
| ▸ | LMNA | P02545 | 2/20 | 0.57 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.57 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.57 |
| ▸ | RELA | Q04206 | 2/20 | 0.57 |
| ▸ | MEN1 | O00255 | 1/20 | 0.57 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.57 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.57 |
| ▸ | PGR | P06401 | 1/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.57 |
| ▸ | GAA | P10253 | 1/20 | 0.57 |
| ▸ | DRD1 | P21728 | 1/20 | 0.57 |
| ▸ | HTT | P42858 | 1/20 | 0.57 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.57 |
| ▸ | HTR1A | P08908 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL11316854 | 0.87 | NPC1 (0.56) | NPC1RAB9ASMN1; SMN2PKMTP53 | |
| SCHEMBL10086372 | 0.86 | NPC1 (0.63) | NPC1RAB9ASMN1; SMN2PKMTP53 | |
| SCHEMBL14275911 | 0.81 | HTR1A (0.59) | NPC1RAB9ASMN1; SMN2PKMTP53 | |
| SCHEMBL10085905 | 0.81 | NPC1 (0.69) | NPC1RAB9ASMN1; SMN2PKMTP53 | |
| SCHEMBL11309280 | 0.80 | CA9 (0.53) | RAB9AMEN1KMT2AGAAKDM4E | |
| SCHEMBL10085751 | 0.80 | HTR1A (0.57) | NPC1RAB9ASMN1; SMN2PKMTP53 | |
| Acetic Acid SCHEMBL3681231 | 0.78 | NPC1 (0.83) | NPC1RAB9ASMN1; SMN2PKMTP53 | |
| SCHEMBL30077160 | 0.77 | NPC1 (0.51) | NPC1RAB9ASMN1; SMN2PKMTP53 | |
| SCHEMBL4188221 | 0.76 | NPC1 (1.00) | NPC1RAB9ASMN1; SMN2PKMTP53 | |
| SCHEMBL29874794 | 0.76 | NPC1 (1.00) | NPC1RAB9ASMN1; SMN2PKMTP53 |
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 |
|---|---|---|---|---|---|---|---|
| US-4308208-A | α-Methylthio-α-(p-phthalimidophenyl)-propionic acid | SAGAMI CHEMICAL RESEARCH CENTER (JP) | 1981-12-29 | — | — | US | disclosed |
| US-4278802-A | METHYLTHIO-/P-/2-THIENYLCARBONYL/PHENYL/PROPIONIC ACID OR ESTER, PHARMACEUTICAL INTERMEDIATES | SAGAMI CHEMICAL RESEARCH CENTER (JP) | 1981-07-14 | — | — | US | disclosed |
| US-4242519-A | DRUG INTERMEDIATES | SAGAMI CHEMICAL RESEARCH CENTER (JP) | 1980-12-30 | — | — | US | disclosed |