Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.49 |
| ▸ | CA2 | P00918 | 3/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | SNCA | P37840 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | F10 | P00742 | 1/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL505791 | 0.81 | ALDH1A1 (0.69) | ALDH1A1CA2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL12829694 | 0.81 | KMT2A (0.46) | ALDH1A1CYP3A4CYP2C9CYP2C19KMT2A | |
| SCHEMBL9749713 | 0.81 | CA2 (0.50) | ALDH1A1CA2CYP3A4KMT2ACYP1A2 | |
| SCHEMBL7011461 | 0.80 | ALDH1A1 (0.60) | ALDH1A1CYP3A4CYP2C9CYP2C19KMT2A | |
| SCHEMBL6022746 | 0.79 | CA2 (0.53) | ALDH1A1CA2CYP3A4HPGDKDM4E | |
| SCHEMBL7009093 | 0.79 | CA2 (0.49) | ALDH1A1CA2KMT2AKDM4EHTT | |
| SCHEMBL8257058 | 0.79 | KMT2A (0.51) | ALDH1A1CA2KMT2A | |
| SCHEMBL18503864 | 0.78 | ALDH1A1 (0.58) | ALDH1A1CYP1A2CYP2A6HTTGAA | |
| SCHEMBL9645228 | 0.78 | ALDH1A1 (0.50) | ALDH1A1CA2KMT2AHPGDKDM4E | |
| SCHEMBL15704257 | 0.77 | CYP2A6 (0.54) | ALDH1A1CYP3A4CYP2C9CYP2C19KMT2A |
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-8961621-B2 | Azo dyes | HUNTSMAN INTERNATIONAL LLC (US) | 2015-02-24 | — | — | US | disclosed |
| US-20140304926-A1 | Azo Dyes | HUNTSMAN INTERNATIONAL LLC | 2014-10-16 | — | — | US | disclosed |
| WO-2013087400-A2 | AZO DYES | HUNTSMAN ADVANCED MATERIALS (SWITZERLAND) GMBH (CH) | 2013-06-20 | — | — | WO | disclosed |