Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | POLB | P06746 | 2/20 | 0.49 |
| ▸ | MEN1 | O00255 | 3/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | RRM1 | P23921 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.43 |
| ▸ | TSHR | P16473 | 3/20 | 0.43 |
| ▸ | HPGD | P15428 | 3/20 | 0.43 |
| ▸ | THRB | P10828 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | CASP1 | P29466 | 1/20 | 0.43 |
| ▸ | RECQL | P46063 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL20880222 | 0.82 | HDAC1 (0.47) | ALDH1A1POLBMEN1KMT2AKDM4E | |
| SCHEMBL879253 | 0.81 | ALDH1A1 (0.53) | ALDH1A1POLBMEN1KMT2AKDM4E | |
| SCHEMBL30071572 | 0.81 | ALDH1A1 (0.53) | ALDH1A1POLBMEN1KMT2AKDM4E | |
| SCHEMBL8396885 | 0.79 | MEN1 (0.72) | POLBMEN1KMT2AKDM4EMAPT | |
| SCHEMBL437529 | 0.78 | ALDH1A1 (0.66) | ALDH1A1POLBMAPTNPC1RAB9A | |
| SCHEMBL16147608 | 0.77 | POLB (0.45) | ALDH1A1POLBKDM4EMAPTHDAC1 | |
| SCHEMBL3111273 | 0.77 | KDM4E (0.54) | ALDH1A1POLBMEN1KMT2AKDM4E | |
| SCHEMBL1469205 | 0.76 | ALDH1A1 (0.54) | ALDH1A1POLBCYP3A4TSHRHPGD | |
| SCHEMBL99833 | 0.76 | TSHR (0.65) | ALDH1A1POLBMEN1KMT2AKDM4E | |
| SCHEMBL879015 | 0.76 | ALDH1A1 (0.54) | ALDH1A1POLBKDM4ECYP3A4TSHR |
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-2135608-B1 | S-triazolyl alpha -mercaptoacetanilides as inhibitors of HIV reverse transcriptase | ARDEA BIOSCIENCES INC (US) | 2011-10-12 | — | — | EP | disclosed |