Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | MMP1 | P03956 | 1/20 | 0.39 |
| ▸ | MMP3 | P08254 | 1/20 | 0.39 |
| ▸ | MMP7 | P09237 | 1/20 | 0.39 |
| ▸ | MMP9 | P14780 | 1/20 | 0.39 |
| ▸ | MMP13 | P45452 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | HTR6 | P50406 | 7/20 | 0.39 |
| ▸ | HTR2C | P28335 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL16431386 | 0.87 | TSHR (0.44) | TSHRL3MBTL1ALDH1A1RAB9AKMT2A | |
| SCHEMBL16439394 | 0.82 | TSHR (0.40) | TSHRL3MBTL1ALDH1A1RAB9AKMT2A | |
| SCHEMBL3920618 | 0.78 | LMNA (0.51) | TSHRL3MBTL1ALDH1A1RAB9AKMT2A | |
| SCHEMBL16442259 | 0.78 | L3MBTL1 (0.58) | TSHRL3MBTL1ALDH1A1RAB9AKMT2A | |
| SCHEMBL27325963 | 0.78 | TSHR (0.46) | TSHRL3MBTL1ALDH1A1RAB9AKMT2A | |
| SCHEMBL1714375 | 0.78 | L3MBTL1 (0.58) | TSHRL3MBTL1ALDH1A1RAB9AKMT2A | |
| SCHEMBL5635569 | 0.78 | L3MBTL1 (0.58) | TSHRL3MBTL1ALDH1A1RAB9AKMT2A | |
| SCHEMBL14511106 | 0.75 | ALDH1A1 (0.51) | TSHRL3MBTL1ALDH1A1RAB9AKMT2A | |
| SCHEMBL16430559 | 0.74 | ALOX5AP (0.48) | TSHRL3MBTL1ALDH1A1RAB9AKMT2A | |
| SCHEMBL16430611 | 0.74 | TSHR (0.43) | TSHRL3MBTL1ALDH1A1RAB9AKMT2A |
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 |
|---|---|---|---|---|---|---|---|
| US-9840478-B2 | Piperazine derivatives as HIV protease inhibitors | MERCK SHARP & DOHME CORP. (US) | 2017-12-12 | — | — | US | disclosed |
| WO-2015017393-A2 | PIPERAZINE DERIVATIVES AS HIV PROTEASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2015-02-05 | — | — | WO | disclosed |