Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | CNR1 | P21554 | 4/20 | 0.43 |
| ▸ | AOC2 | O75106 | 1/20 | 0.42 |
| ▸ | MAOA | P21397 | 1/20 | 0.42 |
| ▸ | MMP1 | P03956 | 1/20 | 0.42 |
| ▸ | MMP3 | P08254 | 1/20 | 0.42 |
| ▸ | MMP7 | P09237 | 1/20 | 0.42 |
| ▸ | MMP9 | P14780 | 1/20 | 0.42 |
| ▸ | MMP13 | P45452 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | PTPN1 | P18031 | 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 | |
|---|---|---|---|---|
| SCHEMBL20002381 | 0.87 | L3MBTL1 (0.56) | ALDH1A1NPSR1L3MBTL1 | |
| SCHEMBL20002434 | 0.87 | L3MBTL1 (0.56) | ALDH1A1NPSR1L3MBTL1 | |
| SCHEMBL20002703 | 0.79 | ALDH1A1 (0.46) | ALDH1A1NPSR1CNR1MMP1MMP3 | |
| SCHEMBL20002927 | 0.79 | ALDH1A1 (0.46) | ALDH1A1NPSR1CNR1L3MBTL1TSHR | |
| SCHEMBL5428002 | 0.76 | CA12 (0.44) | ALDH1A1TSHRLMNA | |
| SCHEMBL20002498 | 0.76 | RORC (0.49) | L3MBTL1 | |
| SCHEMBL20002743 | 0.75 | L3MBTL1 (0.48) | ALDH1A1L3MBTL1TSHR | |
| SCHEMBL20003057 | 0.75 | RORC (0.50) | ALDH1A1L3MBTL1TSHR | |
| SCHEMBL20002731 | 0.75 | L3MBTL1 (0.48) | ALDH1A1L3MBTL1 | |
| SCHEMBL20002251 | 0.75 | RORC (0.52) | ALDH1A1L3MBTL1 |
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 |