Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 3/20 | 0.47 |
| ▸ | PRKCE | Q02156 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | MYLK | Q15746 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | PRKCG | P05129 | 1/20 | 0.41 |
| ▸ | PRKCA | P17252 | 1/20 | 0.41 |
| ▸ | APEX1 | P27695 | 1/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.40 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.40 |
| ▸ | MMP2 | P08253 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL7937089 | 0.85 | GABRA1 (0.54) | IDO1PRKCEALDH1A1MYLKTDP1 | |
| SCHEMBL12946483 | 0.81 | IDO1 (0.41) | IDO1GABRA1GABRB2MMP2CYP3A4 | |
| SCHEMBL19680379 | 0.79 | GABRA1 (0.48) | IDO1PRKCEALDH1A1MYLKTDP1 | |
| SCHEMBL30645137 | 0.79 | CD44 (0.43) | IDO1ALDH1A1TDP1KDM4EALOX12 | |
| SCHEMBL4038330 | 0.79 | CD44 (0.43) | IDO1ALDH1A1TDP1KDM4EALOX12 | |
| SCHEMBL1720477 | 0.79 | ALDH1A1 (0.44) | IDO1ALDH1A1TDP1KDM4EPDK2 | |
| SCHEMBL13318414 | 0.78 | ALDH1A1 (0.52) | IDO1PRKCEALDH1A1MYLKTDP1 | |
| SCHEMBL28425130 | 0.78 | GABRA1 (0.71) | IDO1PRKCEALDH1A1MYLKTDP1 | |
| SCHEMBL5929840 | 0.78 | CYP3A4 (0.52) | IDO1ALDH1A1TDP1KDM4EPDK2 | |
| Hydrochloric Acid SCHEMBL17709455 | 0.77 | IDO1 (0.44) | IDO1ALDH1A1TDP1MAPTHDAC3 |
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-2020043880-A1 | HETEROCYCLIC COMPOUNDS AS AHR MODULATORS | JAGUAHR THERAPEUTICS PTE LTD (SG) | 2020-03-05 | — | — | WO | disclosed |