Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 1/20 | 0.35 |
| ▸ | BCHE | P06276 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | BCL2L11 | O43521 | 1/20 | 0.33 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.33 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 2/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.32 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.32 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | ESR1 | P03372 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL11704026 | 0.84 | IDO1 (0.35) | IDO1TSHRBCL2L11MCL1HIF1A | |
| SCHEMBL9718191 | 0.83 | IDO1 (0.34) | IDO1BCHEHIF1ALMNA | |
| SCHEMBL10438645 | 0.81 | BCHE (0.32) | IDO1BCHE | |
| SCHEMBL11446061 | 0.70 | PSEN1 (0.39) | TSHRHIF1AAKR1B1FFAR4ALDH1A1 | |
| SCHEMBL8712759 | 0.68 | ALOX5 (0.33) | TSHRAKR1B1CYP3A4MEN1KMT2A | |
| SCHEMBL658483 | 0.67 | TSHR (0.34) | TSHRLMNAMAPTTDP1L3MBTL1 | |
| SCHEMBL10852189 | 0.64 | MAPK1 (0.38) | IDO1BCHETSHRAKR1B1CYP3A4 | |
| SCHEMBL10852197 | 0.64 | MAPK1 (0.38) | IDO1BCHETSHRAKR1B1CYP3A4 | |
| SCHEMBL7556209 | 0.64 | — | — | |
| SCHEMBL10536937 | 0.63 | PSEN1 (0.48) | MEN1MAPTKMT2ATDP1 |
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-3947473-A | (6-HYDROXY-CHROMAN-2-YL) CARBOXYLIC ACID DERIVATIVES | HOFFMAN-LA ROCHE INC. (US) | 1976-03-30 | — | — | US | disclosed |