Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DDB1 | Q16531 | 1/20 | 0.44 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.41 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL15114687 | 0.87 | ALDH1A1 (0.50) | DDB1CRBNALDH1A1L3MBTL1MAPK1 | |
| SCHEMBL12621202 | 0.81 | ALDH1A1 (0.53) | DDB1CRBNALDH1A1L3MBTL1MAPK1 | |
| SCHEMBL18692576 | 0.81 | ALDH1A1 (0.53) | DDB1CRBNALDH1A1NR1H2NR1H3 | |
| SCHEMBL20221555 | 0.80 | ALDH1A1 (0.51) | DDB1CRBNALDH1A1 | |
| SCHEMBL15967719 | 0.78 | DDB1 (0.50) | DDB1CRBNALDH1A1NR1H2NR1H3 | |
| SCHEMBL4036434 | 0.77 | KMT2A (0.46) | DDB1CRBNALDH1A1L3MBTL1TSHR | |
| SCHEMBL15967664 | 0.77 | DDB1 (0.46) | DDB1CRBNALDH1A1NR1H2NR1H3 | |
| SCHEMBL3021875 | 0.77 | DDB1 (0.55) | DDB1CRBNALDH1A1NR1H2NR1H3 | |
| SCHEMBL5213485 | 0.77 | DDB1 (0.51) | DDB1CRBNALDH1A1 | |
| SCHEMBL15114589 | 0.77 | KMT2A (0.51) | DDB1CRBNALDH1A1L3MBTL1TSHR |
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 |
|---|---|---|---|---|---|---|---|
| EP-3092229-B1 | PYRROLIDINYL SULFONE DERIVATIVES AND THEIR USE AS ROR GAMMA MODULATORS | BRISTOL MYERS SQUIBB CO (US) | 2018-03-28 | — | — | EP | disclosed |