Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 3/20 | 0.60 |
| ▸ | CA12 | O43570 | 2/20 | 0.47 |
| ▸ | CA1 | P00915 | 2/20 | 0.47 |
| ▸ | CA2 | P00918 | 2/20 | 0.47 |
| ▸ | CA9 | Q16790 | 2/20 | 0.47 |
| ▸ | CA7 | P43166 | 1/20 | 0.47 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.47 |
| ▸ | HSD11B1 | P28845 | 5/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | ATM | Q13315 | 1/20 | 0.46 |
| ▸ | HTR2A | P28223 | 1/20 | 0.45 |
| ▸ | HTR2C | P28335 | 1/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.45 |
| ▸ | PKM | P14618 | 1/20 | 0.45 |
| ▸ | PRKAA2 | P54646 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL20003147 | 0.80 | RORC (0.51) | KMT2ACA12CA1CA2CA9 | |
| SCHEMBL20003016 | 0.79 | RORC (0.50) | KMT2ACA12CA1CA2CA9 | |
| SCHEMBL13890294 | 0.78 | EPHX2 (0.50) | NPC1RAB9AHTR2AHTR2CKCNH2 | |
| SCHEMBL21426003 | 0.78 | MMP13 (0.53) | KMT2AMEN1 | |
| SCHEMBL21426007 | 0.78 | MMP13 (0.53) | KMT2AMEN1 | |
| SCHEMBL20002502 | 0.77 | L3MBTL1 (0.64) | ALDH1A1LMNASMN1; SMN2RAB9A | |
| SCHEMBL20002244 | 0.77 | RORC (0.46) | HTR2AHTR2CKCNH2 | |
| SCHEMBL14413535 | 0.76 | EPHX2 (0.47) | KMT2ACA12CA1CA2CA9 | |
| SCHEMBL20003085 | 0.76 | PROKR1 (0.44) | CA12CA1CA2CA9CA7 | |
| SCHEMBL22638680 | 0.76 | CA1 (0.54) | CA12CA1CA2CA9CA7 |
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 |