Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 3/20 | 0.42 |
| ▸ | HTR6 | P50406 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | ALKBH3 | Q96Q83 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.38 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.38 |
| ▸ | ESR1 | P03372 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL3727998 | 0.86 | MGAM (0.41) | NPC1RAB9AGAAALKBH3HTT | |
| SCHEMBL10690713 | 0.81 | GAA (0.47) | NPC1RAB9ACYP1A2CYP2D6CYP3A4 | |
| SCHEMBL9306184 | 0.81 | GAA (0.42) | CYP1A2CYP2D6CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL5071826 | 0.81 | PNP (0.52) | CYP3A4GAAMEN1KMT2AALDH1A1 | |
| SCHEMBL6697342 | 0.81 | DRD2 (0.50) | CYP1A2CYP2D6CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL6686102 | 0.80 | MGAM (0.62) | CYP1A2CYP2D6CYP3A4GAAMEN1 | |
| SCHEMBL8816937 | 0.79 | CYP1A2 (0.59) | NPC1RAB9ACYP1A2CYP2D6GAA | |
| SCHEMBL7260713 | 0.78 | NPC1 (0.46) | NPC1RAB9ACYP1A2CYP2D6GAA | |
| SCHEMBL5872384 | 0.76 | L3MBTL1 (0.53) | CYP1A2CYP2D6CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL11398553 | 0.75 | NPC1 (0.44) | NPC1RAB9AGAAMEN1KMT2A |
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 2 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 |