Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PPARG | P37231 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | P4HB | P07237 | 3/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.41 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.41 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.41 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.41 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.41 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.41 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8004163 | 0.90 | TSHR (0.42) | PPARGTSHRRAB9APOLBKMT2A | |
| SCHEMBL7988661 | 0.86 | PPARG (0.49) | PPARGTSHRRAB9AMEN1KMT2A | |
| SCHEMBL7988652 | 0.83 | PPARG (0.44) | PPARGTSHRPOLBKMT2AMAOB | |
| SCHEMBL8002294 | 0.80 | NFE2L2 (0.46) | P4HBRAB9APOLBMEN1KMT2A | |
| SCHEMBL8001633 | 0.79 | NFE2L2 (0.50) | PPARGMEN1KMT2AMAOBMAPT | |
| SCHEMBL24411012 | 0.76 | P4HB (0.62) | TSHRP4HBRAB9APOLBGRIN2D | |
| SCHEMBL1926762 | 0.76 | P4HB (0.62) | TSHRP4HBRAB9APOLBGRIN2D | |
| SCHEMBL1926761 | 0.76 | P4HB (0.62) | TSHRP4HBRAB9APOLBGRIN2D | |
| SCHEMBL29496462 | 0.76 | P4HB (0.62) | TSHRP4HBRAB9APOLBGRIN2D | |
| SCHEMBL8002231 | 0.76 | POLB (0.60) | RAB9APOLBMEN1KMT2AMAPT |
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-2009120783-A1 | HIGH AFFINITY INHIBITORS OF HEPATITIS C VIRUS NS3/4A PROTEASE | THE JOHNS HOPKINS UNIVERSITY (US) | 2009-10-01 | — | — | WO | disclosed |