Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.49 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.47 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | HTR1E | P28566 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.44 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL9644016 | 0.91 | FFAR2 (0.49) | SLC6A3SLC6A2SLC6A4SMN1; SMN2HPGD | |
| SCHEMBL1565904 | 0.86 | MEN1 (0.47) | SLC6A3SLC6A2SLC6A4MAPTMEN1 | |
| SCHEMBL10695328 | 0.84 | NPC1 (0.46) | SLC6A3NPC1EPHX1RAB9ASMN1; SMN2 | |
| SCHEMBL5736102 | 0.84 | SLC6A3 (0.52) | SLC6A3SLC6A2SLC6A4ALDH1A1SMN1; SMN2 | |
| SCHEMBL9780781 | 0.84 | HTR1E (0.61) | SLC6A3SLC6A2MAPTMEN1LMNA | |
| SCHEMBL17847165 | 0.82 | POLB (0.46) | SLC6A3POLBNPC1EPHX1RAB9A | |
| SCHEMBL9966559 | 0.82 | POLB (0.46) | SLC6A3POLBNPC1EPHX1RAB9A | |
| SCHEMBL2644996 | 0.81 | HTR1E (0.63) | SLC6A3SLC6A2MAPTMEN1LMNA | |
| SCHEMBL8875745 | 0.81 | HTR1E (0.63) | SLC6A3SLC6A2MAPTMEN1LMNA | |
| SCHEMBL9942263 | 0.81 | SLC6A3 (0.44) | SLC6A3SLC6A2SLC6A4ALDH1A1POLB |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3116862-A1 | PIPERAZINE DERIVATIVES AS HIV PROTEASE INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2017-01-18 | — | — | EP | disclosed |
| WO-2015138220-A1 | PIPERAZINE DERIVATIVES AS HIV PROTEASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2015-09-17 | — | — | WO | disclosed |
| EP-0272580-A2 | Liquidcrystalline cyclohexylbenzene derivatives their manufacturing and novel nematic admixtures containing same | Wojskowa Akademia Techniczna im. Jaroslawa Dabrowskiego (PL) | 1988-06-29 | — | — | EP | disclosed |