Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | PTGFR | P43088 | 3/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | AKR1C3 | P42330 | 4/20 | 0.39 |
| ▸ | AKR1C2 | P52895 | 4/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.37 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.37 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL4778923 | 0.83 | HTT (0.46) | TSHRKMT2AMEN1MAPK1LMNA | |
| SCHEMBL1357313 | 0.82 | HTT (0.39) | KMT2AMEN1CYP3A4AKR1C3AKR1C2 | |
| SCHEMBL16744658 | 0.82 | HTT (0.39) | KMT2AMEN1CYP3A4AKR1C3AKR1C2 | |
| SCHEMBL8169224 | 0.82 | HTT (0.39) | KMT2AMEN1CYP3A4AKR1C3AKR1C2 | |
| SCHEMBL2637191 | 0.81 | FPR2 (0.47) | AKR1C3AKR1C2ALDH1A1LMNAAKR1C1 | |
| SCHEMBL10897264 | 0.79 | AKR1C3 (0.39) | KMT2AMEN1HPGDAKR1C3AKR1C2 | |
| SCHEMBL28578031 | 0.78 | AKR1C3 (0.42) | TSHRHPGDAKR1C3AKR1C2ALDH1A1 | |
| SCHEMBL8163812 | 0.78 | MAPK1 (0.46) | TSHRKMT2AMEN1MAPK1HPGD | |
| SCHEMBL20943279 | 0.78 | MAPK1 (0.46) | TSHRKMT2AMEN1MAPK1HPGD | |
| SCHEMBL31292211 | 0.78 | APAF1 (0.37) | TSHRKMT2AMEN1MAPK1PTGFR |
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 |
|---|---|---|---|---|---|---|---|
| US-8012991-B2 | 3-(2,4-dimethoxyphenyl)-1,9-dimethyl-2-oxo-2,9-dihydro-1H-pyrido[2,3-b]indole-6-carboxylic acid; gamma-aminobutyric acid modulator; anticarcinogenic, antitumor, antiproliferative agent; amidating a 2-aminoindole with an alpha-substituted-beta-hydroxy-alkyl acrylate | SANOFI-AVENTIS (FR) | 2011-09-06 | — | — | US | disclosed |