Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.46 |
| ▸ | RAB9A | P51151 | 4/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.46 |
| ▸ | HPGD | P15428 | 3/20 | 0.46 |
| ▸ | MBOAT4 | Q96T53 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | HDAC6 | Q9UBN7 | 4/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | GAA | P10253 | 3/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | TTR | P02766 | 3/20 | 0.42 |
| ▸ | ALB | P02768 | 1/20 | 0.42 |
| ▸ | MAOA | P21397 | 1/20 | 0.42 |
| ▸ | CNR1 | P21554 | 1/20 | 0.42 |
| ▸ | DRD1 | P21728 | 1/20 | 0.42 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.42 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.42 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL30897530 | 0.81 | MAPT (0.53) | NPC1RAB9ASMN1; SMN2HPGDHDAC6 | |
| SCHEMBL6790090 | 0.81 | TDP1 (0.47) | NPC1RAB9ASMN1; SMN2HPGDMBOAT4 | |
| Hydrochloric Acid SCHEMBL11595567 | 0.79 | NPC1 (0.46) | NPC1RAB9ASMN1; SMN2HPGDMBOAT4 | |
| SCHEMBL29502366 | 0.79 | HDAC6 (0.48) | NPC1RAB9ASMN1; SMN2HPGDMBOAT4 | |
| SCHEMBL8653471 | 0.79 | NPC1 (0.46) | NPC1RAB9ASMN1; SMN2HPGDMBOAT4 | |
| SCHEMBL25253664 | 0.79 | HDAC6 (0.48) | NPC1RAB9ASMN1; SMN2HPGDMBOAT4 | |
| SCHEMBL701884 | 0.79 | TDP1 (0.54) | NPC1RAB9ASMN1; SMN2HPGDMBOAT4 | |
| SCHEMBL6789233 | 0.79 | MAPT (0.54) | NPC1RAB9ASMN1; SMN2HPGDMBOAT4 | |
| SCHEMBL30041235 | 0.79 | TDP1 (0.54) | NPC1RAB9ASMN1; SMN2HPGDMBOAT4 | |
| SCHEMBL7126901 | 0.79 | NPC1 (0.55) | NPC1RAB9ASMN1; SMN2HPGDMBOAT4 |
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 |