Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | RORC | P51449 | 3/20 | 0.42 |
| ▸ | PKM | P14618 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | TACR3 | P29371 | 1/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | CNR1 | P21554 | 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 | |
|---|---|---|---|---|
| SCHEMBL20003130 | 0.88 | ALDH1A1 (0.49) | ALDH1A1SMN1; SMN2RORCPKMMAPT | |
| SCHEMBL20002747 | 0.80 | MAPT (0.44) | ALDH1A1SMN1; SMN2RORCMAPTCYP19A1 | |
| SCHEMBL20003072 | 0.77 | RORC (0.43) | ALDH1A1SMN1; SMN2RORCPKMMAPT | |
| SCHEMBL20003187 | 0.77 | RORC (0.43) | ALDH1A1SMN1; SMN2RORCPKMMAPT | |
| SCHEMBL20003196 | 0.72 | HSD11B1 (0.48) | ALDH1A1SMN1; SMN2POLBTP53TSHR | |
| SCHEMBL20002719 | 0.72 | HSD11B1 (0.48) | ALDH1A1SMN1; SMN2POLBTP53TSHR | |
| SCHEMBL19702601 | 0.72 | MAPT (0.55) | ALDH1A1SMN1; SMN2MAPTPOLBKMT2A | |
| SCHEMBL19703195 | 0.71 | SMN1; SMN2 (0.52) | ALDH1A1SMN1; SMN2MAPTPOLBKMT2A | |
| SCHEMBL20002255 | 0.70 | CCR5 (0.49) | RORCTACR3KMT2A | |
| SCHEMBL20002879 | 0.69 | NPC1 (0.44) | ALDH1A1SMN1; SMN2LMNAMAPK1KCNH2 |
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 |