Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 3/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.40 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.40 |
| ▸ | KDM1A | O60341 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL28356625 | 0.89 | LMNA (0.57) | LMNAMAPTALDH1A1SMN1; SMN2NPSR1 | |
| SCHEMBL28514412 | 0.86 | LMNA (0.54) | LMNAMAPTALDH1A1SMN1; SMN2NPSR1 | |
| SCHEMBL11212433 | 0.85 | MAPT (0.50) | MAPTALDH1A1SMN1; SMN2NPSR1CYP1A2 | |
| SCHEMBL31575054 | 0.82 | F2 (0.43) | LMNAMAPTCYP1A2CYP2D6PKM | |
| SCHEMBL28106660 | 0.82 | DDX3X (0.49) | LMNAMAPTALDH1A1SMN1; SMN2CYP1A2 | |
| SCHEMBL5950512 | 0.81 | KDM4E (0.52) | MAPTALDH1A1SMN1; SMN2NPSR1CYP1A2 | |
| SCHEMBL8894563 | 0.81 | MAPT (0.47) | MAPTALDH1A1SMN1; SMN2NPSR1CYP1A2 | |
| Hydrochloric Acid SCHEMBL20578320 | 0.80 | DDX3X (0.47) | LMNAMAPTALDH1A1SMN1; SMN2CYP1A2 | |
| SCHEMBL28993905 | 0.80 | CYP1A2 (0.50) | MAPTALDH1A1SMN1; SMN2NPSR1CYP1A2 | |
| Hydrochloric Acid SCHEMBL1066414 | 0.80 | KDM4E (0.51) | MAPTALDH1A1SMN1; SMN2NPSR1CYP1A2 |
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-2895482-A1 | HIV PROTEASE INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2015-07-22 | — | — | EP | claimed |
| WO-2014043019-A1 | HIV PROTEASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2014-03-20 | — | — | WO | claimed |