Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.40 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.40 |
| ▸ | MME | P08473 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.39 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.39 |
| ▸ | PGR | P06401 | 1/20 | 0.39 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.39 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7255569 | 0.86 | HPGD (0.42) | HPGDALDH1A1NPSR1MAPTMEN1 | |
| SCHEMBL2683020 | 0.83 | PGR (0.50) | ALDH1A1MAPTTSHRNR1H2NR1H3 | |
| SCHEMBL629045 | 0.83 | PGR (0.50) | ALDH1A1MAPTTSHRNR1H2NR1H3 | |
| Hydrochloric Acid SCHEMBL901698 | 0.81 | PGR (0.49) | ALDH1A1MAPTTSHRNR1H2NR1H3 | |
| Hydrochloric Acid SCHEMBL627946 | 0.81 | PGR (0.49) | ALDH1A1MAPTTSHRNR1H2NR1H3 | |
| SCHEMBL756439 | 0.79 | AOC3 (0.42) | HPGDALDH1A1NPSR1KMT2AMME | |
| SCHEMBL2089224 | 0.79 | AOC3 (0.42) | HPGDALDH1A1NPSR1KMT2AMME | |
| SCHEMBL5184055 | 0.79 | AOC3 (0.42) | HPGDALDH1A1NPSR1KMT2AMME | |
| SCHEMBL29157520 | 0.78 | TDP1 (0.49) | ALDH1A1MEN1KMT2AKDM4ETDP1 | |
| Hydrochloric Acid SCHEMBL18920497 | 0.78 | AOC3 (0.41) | HPGDALDH1A1KMT2AMMEHTT |
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-2012041014-A1 | TETRACYCLIC INDOLE DERIVATIVES FOR TREATING HEPATITIS C VIRUS INFECTION | MERCK SHARP & DOHME CORP. (US) | 2012-04-05 | — | — | WO | disclosed |