Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 3/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.39 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.38 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.37 |
| ▸ | TACR2 | P21452 | 1/20 | 0.37 |
| ▸ | TACR1 | P25103 | 1/20 | 0.37 |
| ▸ | PDE2A | O00408 | 1/20 | 0.37 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL20002641 | 0.88 | TDP1 (0.42) | KMT2AMEN1ALDH1A1TSHRHSD11B1 | |
| SCHEMBL20003089 | 0.86 | GPR183 (0.45) | CCR5KMT2AMEN1ALDH1A1TSHR | |
| SCHEMBL20002574 | 0.86 | ALDH1A1 (0.51) | KMT2AMEN1ALDH1A1TSHRSMN1; SMN2 | |
| SCHEMBL20002698 | 0.86 | HSD11B1 (0.47) | KMT2AMEN1ALDH1A1TSHRHSD11B1 | |
| SCHEMBL20002706 | 0.86 | HSD11B1 (0.47) | KMT2AMEN1ALDH1A1TSHRHSD11B1 | |
| SCHEMBL20002705 | 0.86 | ALDH1A1 (0.41) | KMT2AMEN1ALDH1A1TSHRHSD11B1 | |
| SCHEMBL20002660 | 0.84 | FASN (0.52) | CCR5KMT2AMEN1TSHRHSD11B1 | |
| SCHEMBL20002932 | 0.83 | KDM1A (0.42) | KMT2AMEN1ALDH1A1TSHRPTPN1 | |
| SCHEMBL20003098 | 0.83 | GPR183 (0.38) | KMT2AMEN1ALDH1A1TSHRPTPN1 | |
| SCHEMBL20002995 | 0.81 | GFER (0.50) | KMT2AMEN1ALDH1A1TSHRHSD11B1 |
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 |