Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 2/20 | 0.51 |
| ▸ | HTT | P42858 | 2/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | KCNQ4 | P56696 | 3/20 | 0.46 |
| ▸ | KCNQ5 | Q9NR82 | 3/20 | 0.46 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | BRAF | P15056 | 1/20 | 0.43 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL857284 | 0.87 | HTT (0.55) | MAPTHTTSMN1; SMN2KCNQ4KCNQ5 | |
| SCHEMBL13636114 | 0.86 | CYP17A1 (0.44) | MAPTMEN1KMT2ASMN1; SMN2KCNQ4 | |
| SCHEMBL27398698 | 0.86 | MAPT (0.51) | MAPTHTTMEN1KMT2AKCNQ4 | |
| SCHEMBL2231205 | 0.84 | CYP17A1 (0.44) | MAPTSMN1; SMN2KCNQ4KCNQ5CYP17A1 | |
| SCHEMBL4301168 | 0.84 | AAK1 (0.50) | SMN1; SMN2KCNQ4KCNQ5CYP17A1BRAF | |
| SCHEMBL197145 | 0.84 | HDAC1 (0.55) | HTTKCNQ4KCNQ5CYP17A1 | |
| SCHEMBL29549489 | 0.84 | HDAC1 (0.50) | KCNQ4KCNQ5CYP17A1RXFP1 | |
| SCHEMBL26426327 | 0.84 | KCNQ4 (0.50) | MAPTHTTMEN1KMT2ASMN1; SMN2 | |
| SCHEMBL826795 | 0.84 | HDAC1 (0.50) | KCNQ4KCNQ5CYP17A1RXFP1 | |
| SCHEMBL29581478 | 0.84 | HDAC1 (0.55) | HTTKCNQ4KCNQ5CYP17A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2895482-B1 | HIV PROTEASE INHIBITORS | MERCK SHARP & DOHME (US) | 2016-10-19 | — | — | EP | disclosed |
| US-9315475-B2 | HIV protease inhibitors | MERCK SHARP & DOHME CORP. (US) | 2016-04-19 | — | — | US | disclosed |
| US-9315475-B2 | HIV protease inhibitors | MERCK SHARP & DOHME CORP. (US) | 2016-04-19 | — | — | US | disclosed |
| WO-2014043019-A1 | HIV PROTEASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2014-03-20 | — | — | WO | disclosed |