Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.52 |
| ▸ | POLB | P06746 | 2/20 | 0.43 |
| ▸ | PKM | P14618 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.41 |
| ▸ | TACR3 | P29371 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | CNR1 | P21554 | 1/20 | 0.40 |
| ▸ | ME2 | P23368 | 1/20 | 0.40 |
| ▸ | ME1 | P48163 | 1/20 | 0.40 |
| ▸ | ME3 | Q16798 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | MLNR | O43193 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL20002890 | 0.90 | SMN1; SMN2 (0.48) | ALDH1A1SMN1; SMN2POLBPKMMAPT | |
| SCHEMBL20002209 | 0.86 | SMN1; SMN2 (0.47) | ALDH1A1SMN1; SMN2POLBPKMMAPT | |
| SCHEMBL20002218 | 0.86 | SMN1; SMN2 (0.47) | ALDH1A1SMN1; SMN2POLBPKMMAPT | |
| SCHEMBL20003082 | 0.83 | SMN1; SMN2 (0.44) | ALDH1A1SMN1; SMN2POLBPKMMAPT | |
| SCHEMBL20003187 | 0.81 | RORC (0.43) | ALDH1A1SMN1; SMN2POLBPKMMAPT | |
| SCHEMBL19702977 | 0.77 | SMN1; SMN2 (0.53) | ALDH1A1SMN1; SMN2POLBMAPTRAB9A | |
| SCHEMBL20002918 | 0.76 | PKM (0.47) | ALDH1A1SMN1; SMN2POLBPKMLMNA | |
| SCHEMBL20002495 | 0.75 | RORC (0.40) | ALDH1A1SMN1; SMN2PKMMAPTALOX12 | |
| SCHEMBL20002751 | 0.74 | NOTUM (0.42) | MAPTL3MBTL1 | |
| SCHEMBL20002981 | 0.74 | KDM4E (0.55) | ALDH1A1SMN1; SMN2POLBLMNARAB9A |
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 |