Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 2/20 | 0.40 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.38 |
| ▸ | IDO1 | P14902 | 2/20 | 0.38 |
| ▸ | STIM1 | Q13586 | 1/20 | 0.38 |
| ▸ | ORAI1 | Q96D31 | 1/20 | 0.38 |
| ▸ | ORAI3 | Q9BRQ5 | 1/20 | 0.38 |
| ▸ | APP | P05067 | 1/20 | 0.37 |
| ▸ | TYR | P14679 | 2/20 | 0.35 |
| ▸ | ESRRG | P62508 | 1/20 | 0.35 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.34 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.34 |
| ▸ | AR | P10275 | 2/20 | 0.33 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | MIF | P14174 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6193600 | 0.80 | DAO (0.47) | IDO1CES2 | |
| SCHEMBL21807243 | 0.80 | IDO1 (0.54) | KIF11IDO1 | |
| SCHEMBL19304121 | 0.79 | HSD17B3 (0.41) | KIF11HSD17B3IDO1STIM1ORAI1 | |
| SCHEMBL695215 | 0.79 | IDO1 (0.43) | KIF11HSD17B3IDO1STIM1ORAI1 | |
| SCHEMBL18530487 | 0.79 | KDM1A (0.39) | KIF11IDO1PTPN7DUSP3 | |
| SCHEMBL18535700 | 0.79 | POLQ (0.46) | IDO1HTT | |
| SCHEMBL1554674 | 0.76 | CHRNA7 (0.46) | TYRALDH1A1MIF | |
| SCHEMBL14793818 | 0.75 | CAMK2A (0.47) | ALDH1A1LMNACYP2C9 | |
| SCHEMBL30513627 | 0.75 | TYR (0.58) | TYRALDH1A1ALOX15HTT | |
| SCHEMBL933119 | 0.75 | TYR (0.58) | TYRALDH1A1ALOX15HTT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2590954-A1 | BISARYL (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS | ABBVIE B.V. (NL) | 2013-05-15 | — | — | EP | disclosed |
| WO-2012004375-A1 | BISARYL (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS | ABBOTT HEALTHCARE PRODUCTS B.V. (NL) | 2012-01-12 | — | — | WO | disclosed |