Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 5/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 3/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | NAMPT | P43490 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.39 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL28413301 | 0.88 | KMT2A (0.53) | KMT2AKDM4ENPC1RAB9APOLB | |
| SCHEMBL432658 | 0.88 | TDP1 (0.53) | KMT2ARAB9APOLBTDP1LMNA | |
| SCHEMBL2167257 | 0.82 | POLB (0.50) | KMT2AKDM4ENPC1RAB9APOLB | |
| SCHEMBL28415823 | 0.77 | NPC1 (0.42) | KMT2ANPC1RAB9APOLBLMNA | |
| SCHEMBL152733 | 0.75 | NUDT1 (0.49) | KMT2AKDM4EMAPTNPC1RAB9A | |
| SCHEMBL11181967 | 0.74 | CASP3 (0.58) | KMT2AMAPTNPC1RAB9APOLB | |
| SCHEMBL5918034 | 0.74 | RXFP1 (0.61) | KMT2AKDM4EMAPTRAB9APOLB | |
| Bromide SCHEMBL29572453 | 0.73 | NUDT1 (0.48) | KMT2AKDM4EMAPTNPC1RAB9A | |
| Hydrochloric Acid SCHEMBL29571385 | 0.73 | NUDT1 (0.48) | KMT2AKDM4EMAPTNPC1RAB9A | |
| Hydrochloric Acid SCHEMBL6175391 | 0.73 | NUDT1 (0.48) | KMT2AKDM4EMAPTNPC1RAB9A |
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 |
|---|---|---|---|---|---|---|---|
| EP-1784393-B1 | QUINAZOLINES USEFUL AS MODULATORS OF ION CHANNELS | VERTEX PHARMA (US) | 2009-07-01 | — | — | EP | disclosed |