Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RORC | P51449 | 2/20 | 0.41 |
| ▸ | DPP4 | P27487 | 1/20 | 0.37 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.36 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.36 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 2/20 | 0.34 |
| ▸ | PHGDH | O43175 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | MMP13 | P45452 | 2/20 | 0.34 |
| ▸ | MMP1 | P03956 | 1/20 | 0.34 |
| ▸ | FAAH | O00519 | 1/20 | 0.34 |
| ▸ | CCR5 | P51681 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.33 |
| ▸ | MMP2 | P08253 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL20003154 | 0.78 | RORC (0.39) | RORCGRIN1GRIN2BHSD11B1SMN1; SMN2 | |
| SCHEMBL20003220 | 0.77 | RORC (0.41) | RORCDPP4GRIN1GRIN2BHSD11B1 | |
| SCHEMBL20002823 | 0.77 | CCR5 (0.38) | GRIN1GRIN2BHSD11B1SMN1; SMN2NPC1 | |
| SCHEMBL20002294 | 0.76 | PTPN11 (0.36) | RORCDPP4GRIN1GRIN2BCCR5 | |
| SCHEMBL20003080 | 0.76 | GRIN1 (0.35) | RORCGRIN1GRIN2BHSD11B1NPC1 | |
| SCHEMBL20003191 | 0.76 | RORC (0.41) | RORCGRIN1GRIN2BHSD11B1SMN1; SMN2 | |
| SCHEMBL20002430 | 0.75 | RORC (0.44) | RORCDPP4CCR5HDAC1HDAC2 | |
| SCHEMBL20003152 | 0.73 | RAB9A (0.34) | GRIN1GRIN2BHSD11B1SMN1; SMN2NPC1 | |
| SCHEMBL20003026 | 0.73 | RORC (0.47) | RORCGRIN1GRIN2BHSD11B1SMN1; SMN2 | |
| SCHEMBL20002719 | 0.71 | HSD11B1 (0.48) | HSD11B1SMN1; SMN2ALDH1A1KMT2A |
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 |