Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.40 |
| ▸ | CCR5 | P51681 | 1/20 | 0.39 |
| ▸ | KDM1A | O60341 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.37 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.37 |
| ▸ | MMP1 | P03956 | 1/20 | 0.36 |
| ▸ | MMP3 | P08254 | 1/20 | 0.36 |
| ▸ | MMP7 | P09237 | 1/20 | 0.36 |
| ▸ | MMP9 | P14780 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL20002936 | 0.90 | CCR5 (0.46) | SMN1; SMN2CCR5AKR1C3KMT2AGRIN1 | |
| SCHEMBL20002879 | 0.88 | NPC1 (0.44) | SMN1; SMN2CCR5ALDH1A1NPC1LMNA | |
| SCHEMBL20002297 | 0.85 | NOTUM (0.47) | CCR5NPC1RAB9AAKR1C3KMT2A | |
| SCHEMBL20002294 | 0.83 | PTPN11 (0.36) | CCR5KMT2AGRIN1GRIN2BRIPK1 | |
| SCHEMBL20002612 | 0.82 | RORC (0.36) | CCR5NPC1RAB9AKMT2AGRIN1 | |
| SCHEMBL20003024 | 0.82 | NOTUM (0.44) | HTTEPHX2CCR5ALDH1A1NPC1 | |
| SCHEMBL9805869 | 0.77 | POLB (0.50) | SMN1; SMN2HTTKDM1AMAOBALDH1A1 | |
| SCHEMBL20002136 | 0.77 | GPR119 (0.49) | KMT2AMMP13 | |
| SCHEMBL20003227 | 0.77 | KMT2A (0.38) | SMN1; SMN2CCR5KDM1AMAOBKMT2A | |
| SCHEMBL20003048 | 0.76 | PDK1 (0.41) | SMN1; SMN2CCR5ALDH1A1LMNARAB9A |
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 |