Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 1/20 | 0.38 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | HRH1 | P35367 | 2/20 | 0.37 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.37 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.37 |
| ▸ | HRH2 | P25021 | 1/20 | 0.37 |
| ▸ | KDM2B | Q8NHM5 | 4/20 | 0.36 |
| ▸ | CCR3 | P51677 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.36 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.36 |
| ▸ | HTR3B | O95264 | 1/20 | 0.36 |
| ▸ | HTR3A | P46098 | 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 | |
|---|---|---|---|---|
| SCHEMBL8511443 | 0.76 | ROCK2 (0.70) | ROCK2 | |
| SCHEMBL14461699 | 0.75 | ALDH1A1 (0.50) | ROCK2MAPTRAB9AMEN1KMT2A | |
| SCHEMBL23453298 | 0.64 | POLB (0.51) | MAPTRAB9AKMT2A | |
| SCHEMBL17208294 | 0.63 | KMT2A (0.51) | MAPTRAB9AMEN1CYP1A2CYP2C19 | |
| SCHEMBL21214474 | 0.63 | ALDH1A1 (0.65) | MAPTOPRM1OPRD1KDM2BMEN1 | |
| SCHEMBL17208293 | 0.63 | ESR2 (0.45) | MAPTRAB9AMEN1CYP1A2CYP2D6 | |
| SCHEMBL8421936 | 0.63 | NSD2 (0.62) | MAPTMEN1CYP1A2CYP2C19KMT2A | |
| SCHEMBL13296203 | 0.62 | ALDH1A1 (0.50) | MAPTRAB9AMEN1KMT2A | |
| SCHEMBL5073854 | 0.62 | L3MBTL1 (0.48) | RAB9ACYP2C19KMT2A | |
| SCHEMBL27844769 | 0.62 | ALDH1A1 (0.49) | MAPTKCNH2KMT2A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3354643-B1 | DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE | AERIE PHARMACEUTICALS INC (US) | 2020-10-28 | — | — | EP | disclosed |
| EP-3354643-A1 | DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE | Aerie Pharmaceuticals, Inc. (US) | 2018-08-01 | — | — | EP | disclosed |