Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.74 |
| ▸ | RECQL | P46063 | 2/20 | 0.74 |
| ▸ | NPC1 | O15118 | 1/20 | 0.74 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.74 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.74 |
| ▸ | STAT3 | P40763 | 1/20 | 0.74 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.74 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.55 |
| ▸ | RAD52 | P43351 | 2/20 | 0.54 |
| ▸ | MPO | P05164 | 1/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.53 |
| ▸ | RAB9A | P51151 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 4/20 | 0.53 |
| ▸ | LMNA | P02545 | 3/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | HTT | P42858 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
| ▸ | BACE1 | P56817 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL6517381 | 0.80 | SMN1; SMN2 (0.53) | CYP1A2RECQLNPC1CYP3A4CYP2C19 | |
| SCHEMBL6509984 | 0.77 | MAPK1 (0.54) | CYP1A2NPC1MAPK1RAD52SMN1; SMN2 | |
| SCHEMBL6509097 | 0.75 | MAPK1 (0.54) | CYP1A2MAPK1RAD52SMN1; SMN2RAB9A | |
| SCHEMBL5923406 | 0.75 | MEN1 (0.48) | NPC1MAPK1SMN1; SMN2RAB9AMAPT | |
| SCHEMBL6512853 | 0.74 | SIGMAR1 (0.72) | CYP1A2MAPK1SMN1; SMN2RAB9AMAPT | |
| SCHEMBL29531432 | 0.72 | MPO (1.00) | CYP1A2RECQLNPC1CYP3A4CYP2C19 | |
| Hydrochloric Acid SCHEMBL29767736 | 0.71 | MPO (0.97) | CYP1A2RECQLNPC1CYP3A4CYP2C19 | |
| SCHEMBL6510712 | 0.71 | CRHBP (0.60) | CYP1A2RECQLNPC1CYP3A4CYP2C19 | |
| SCHEMBL6512924 | 0.70 | CRHBP (0.68) | CYP1A2MAPK1SMN1; SMN2RAB9AMAPT | |
| SCHEMBL10498926 | 0.70 | CRHBP (0.83) | CYP1A2RECQLNPC1CYP3A4CYP2C19 |
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-2005095345-A2 | HETEROARYL GUANIDINES AS INHIBITORS OF VIRAL REPLICATION | ACHILLION PHARMACEUTICALS, INC. (US) | 2005-10-13 | — | — | WO | claimed |