Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H4 | Q96RI1 | 4/20 | 0.50 |
| ▸ | EPHX2 | P34913 | 4/20 | 0.50 |
| ▸ | RAB9A | P51151 | 2/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | ERCC1 | P07992 | 1/20 | 0.49 |
| ▸ | ERCC4 | Q92889 | 1/20 | 0.49 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.48 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.44 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.43 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.43 |
| ▸ | TAOK1 | Q7L7X3 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL22060070 | 0.86 | NR1H4 (0.60) | NR1H4EPHX2RAB9ASMN1; SMN2MEN1 | |
| SCHEMBL19634447 | 0.84 | HDAC1 (0.64) | NR1H4EPHX2RAB9AKMT2AHDAC1 | |
| SCHEMBL19634407 | 0.83 | RAB9A (0.52) | NR1H4EPHX2RAB9ASMN1; SMN2MEN1 | |
| SCHEMBL19634421 | 0.82 | ERCC1 (0.54) | NR1H4EPHX2RAB9ASMN1; SMN2MEN1 | |
| SCHEMBL20180570 | 0.80 | EPHX2 (0.50) | NR1H4EPHX2MEN1KMT2AHDAC1 | |
| SCHEMBL21015484 | 0.80 | HDAC6 (0.67) | NR1H4EPHX2RAB9AMEN1KMT2A | |
| SCHEMBL12131750 | 0.79 | ERCC1 (0.70) | MEN1KMT2AERCC1ERCC4HDAC1 | |
| SCHEMBL13993336 | 0.79 | EPHX2 (0.54) | NR1H4EPHX2MEN1KMT2AHDAC1 | |
| SCHEMBL24904348 | 0.77 | RAB9A (0.55) | RAB9ASMN1; SMN2MEN1KMT2AHDAC1 | |
| SCHEMBL12864477 | 0.77 | ERCC1 (0.55) | RAB9ASMN1; SMN2MEN1KMT2AERCC1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2017200984-A1 | NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF | S&T GLOBAL INC. (US) | 2017-11-23 | — | — | WO | disclosed |