Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 3/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | SLC6A5 | Q9Y345 | 1/20 | 0.43 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.43 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.43 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.43 |
| ▸ | NAMPT | P43490 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | LPL | P06858 | 1/20 | 0.41 |
| ▸ | LIPC | P11150 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL17846146 | 0.98 | TRPV1 (0.46) | TRPV1HPGDSMN1; SMN2SLC6A5HDAC3 | |
| SCHEMBL27791780 | 0.95 | CYP2D6 (0.45) | HPGDSMN1; SMN2NAMPTKMT2AALDH1A1 | |
| Hydrochloric Acid SCHEMBL25337399 | 0.93 | CYP2D6 (0.44) | HPGDSMN1; SMN2HDAC3HDAC1HDAC2 | |
| SCHEMBL4598193 | 0.88 | MTNR1A (0.46) | HPGDTSHRALDH1A1KDM4ECYP2D6 | |
| SCHEMBL17846090 | 0.81 | SLC6A5 (0.54) | TRPV1HPGDSLC6A5TSHRALDH1A1 | |
| SCHEMBL17846186 | 0.80 | SLC6A5 (0.53) | TRPV1HPGDSLC6A5TSHRALDH1A1 | |
| SCHEMBL27770724 | 0.78 | TDP1 (0.50) | LMNATSHRKMT2A | |
| SCHEMBL23159850 | 0.78 | ALOX15 (0.47) | SMN1; SMN2TSHRKMT2AALDH1A1L3MBTL1 | |
| SCHEMBL17845992 | 0.78 | KMT2A (0.49) | TRPV1HPGDSMN1; SMN2NAMPTKMT2A | |
| SCHEMBL4844595 | 0.77 | MAPT (0.56) | SMN1; SMN2HDAC3HDAC1HDAC2 |
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-3233859-A1 | ERK INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2017-10-25 | — | — | EP | disclosed |
| WO-2016100051-A1 | ERK INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2016-06-23 | — | — | WO | disclosed |
| CN-101646427-B | Inhibitors of akt activity | SMITHKLINE BEECHAM CORP US | 2013-06-12 | — | — | CN | disclosed |
| CN-101646427-A | Inhibitors of akt activity | SMITHKLINE BEECHAM CORP US | 2010-02-10 | — | — | CN | disclosed |