Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.54 |
| ▸ | NPC1 | O15118 | 1/20 | 0.54 |
| ▸ | RAB9A | P51151 | 1/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 2/20 | 0.44 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.43 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.43 |
| ▸ | THRB | P10828 | 1/20 | 0.43 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL31620995 | 0.91 | KDM4E (0.54) | ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2 | |
| SCHEMBL31620997 | 0.89 | KDM4E (0.58) | ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2 | |
| SCHEMBL31621003 | 0.87 | KDM4E (0.54) | ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2 | |
| SCHEMBL4043732 | 0.84 | ALDH1A1 (0.48) | ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2 | |
| SCHEMBL31620998 | 0.83 | KDM4E (0.50) | ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2 | |
| SCHEMBL6403079 | 0.82 | ALDH1A1 (0.44) | ALDH1A1KDM4ESMN1; SMN2TSHRTDP1 | |
| SCHEMBL3527664 | 0.80 | ALDH1A1 (0.57) | ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2 | |
| SCHEMBL3709691 | 0.80 | ALDH1A1 (0.57) | ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2 | |
| SCHEMBL17727606 | 0.79 | CYP2D6 (0.54) | ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2 | |
| SCHEMBL29618260 | 0.79 | CYP2D6 (0.53) | ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2009103719-A1 | SUBSTITUTED 4-(INDOL-3-YL)QUINAZOLINES AND USE AND PRODUCTION THEREOF | FREIE UNIVERSITÄT BERLIN (DE) | 2009-08-27 | — | — | WO | disclosed |