Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | S1PR2 | O95136 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | GPR142 | Q7Z601 | 1/20 | 0.40 |
| ▸ | NAMPT | P43490 | 1/20 | 0.40 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.40 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL20002981 | 0.84 | KDM4E (0.55) | RAB9ANPC1KMT2AMEN1GAA | |
| SCHEMBL20003022 | 0.80 | RORC (0.49) | RAB9ANPC1MAPTGAACYP2C9 | |
| SCHEMBL20002209 | 0.80 | SMN1; SMN2 (0.47) | MAPTGAASMN1; SMN2KDM4EPOLB | |
| SCHEMBL20002218 | 0.80 | SMN1; SMN2 (0.47) | MAPTGAASMN1; SMN2KDM4EPOLB | |
| SCHEMBL20002559 | 0.75 | ALDH1A1 (0.45) | NPC1MAPTKMT2AMEN1POLB | |
| SCHEMBL20002706 | 0.73 | HSD11B1 (0.47) | KMT2AMEN1SMN1; SMN2POLB | |
| SCHEMBL20002698 | 0.73 | HSD11B1 (0.47) | KMT2AMEN1SMN1; SMN2POLB | |
| SCHEMBL20003082 | 0.72 | SMN1; SMN2 (0.44) | MAPTSMN1; SMN2POLB | |
| SCHEMBL20002751 | 0.72 | NOTUM (0.42) | MAPT | |
| SCHEMBL20002280 | 0.72 | TACR1 (0.40) | — |
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 |