Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | CNR2 | P34972 | 12/20 | 0.49 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.44 |
| ▸ | CNR1 | P21554 | 1/20 | 0.43 |
| ▸ | MGAM | O43451 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | SI | P14410 | 1/20 | 0.43 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.43 |
| ▸ | METAP2 | P50579 | 1/20 | 0.42 |
| ▸ | DHODH | Q02127 | 1/20 | 0.42 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL11260279 | 0.86 | MGAM (0.46) | NPC1RAB9ACNR2NUDT1MGAM | |
| SCHEMBL1170898 | 0.81 | DHODH (0.54) | NPC1RAB9ACNR2CNR1MGAM | |
| SCHEMBL17740425 | 0.81 | ENPP1 (0.46) | NPC1RAB9ANUDT1MGAMGAA | |
| SCHEMBL8818813 | 0.80 | MGAM (0.68) | NPC1RAB9ACNR2NUDT1MGAM | |
| SCHEMBL31027957 | 0.80 | DHODH (0.59) | NPC1RAB9ACNR2MGAMGAA | |
| SCHEMBL8818775 | 0.79 | GAA (0.64) | NPC1RAB9AMGAMGAASI | |
| SCHEMBL8816603 | 0.79 | GAA (0.64) | NPC1RAB9AMGAMGAASI | |
| SCHEMBL7146754 | 0.79 | DHODH (0.62) | NPC1RAB9ACNR2MGAMGAA | |
| SCHEMBL10696507 | 0.79 | CNR2 (0.49) | CNR2CNR1MGAMGAASI | |
| SCHEMBL2010618 | 0.79 | CNR2 (0.48) | CNR2CNR1METAP2DHODHNPY5R |
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-5347008-A | Thio(cyclo) alkanepolycarboxylic acids containing heterocyclic substituents | CIBA-GEIGY CORPORATION (US) | 1994-09-13 | — | — | US | disclosed |
| US-5152929-A | Corrosion inhibitors for water systems | CIBA-GEIGY CORPORATION (US) | 1992-10-06 | — | — | US | disclosed |
| EP-0129506-A2 | Heterocyclically substituted thio(cyclo)alkane polycarboxylic acids | CIBA-GEIGY AG (CH) | 1984-12-27 | — | — | EP | disclosed |