Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.38 |
| ▸ | SYK | P43405 | 1/20 | 0.36 |
| ▸ | NQO2 | P16083 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.35 |
| ▸ | HTR2C | P28335 | 2/20 | 0.35 |
| ▸ | HTR2B | P41595 | 2/20 | 0.35 |
| ▸ | TMIGD3 | P0DMS9 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.34 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.34 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.34 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL2786922 | 0.82 | S1PR1 (0.44) | KMT2AOPRK1S1PR1GABRA1GABRG2 | |
| SCHEMBL2791038 | 0.81 | S1PR1 (0.42) | SYKKMT2AOPRK1S1PR1GABRA1 | |
| SCHEMBL2880309 | 0.80 | S1PR1 (0.43) | S1PR1GABRA1GABRG2GABRB3GABRA5 | |
| SCHEMBL20502047 | 0.78 | S1PR1 (0.39) | SYKNQO2SMN1; SMN2OPRK1S1PR1 | |
| SCHEMBL2774263 | 0.77 | S1PR1 (0.45) | SYKNQO2TDP1KMT2APOLB | |
| SCHEMBL2774383 | 0.75 | S1PR1 (0.43) | SYKNQO2TDP1KMT2ATSHR | |
| SCHEMBL14743282 | 0.74 | FPR2 (0.55) | SYKNQO2FPR2SCN9A | |
| SCHEMBL14743280 | 0.74 | FPR2 (0.55) | SYKNQO2FPR2SCN9A | |
| SCHEMBL11925474 | 0.73 | CXCR2 (0.44) | SYKNQO2FPR2SCN9A | |
| SCHEMBL17149325 | 0.73 | SCN9A (0.46) | NQO2FPR2SCN9A |
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-2183224-A1 | 6-AMINO-PYRIMIDINE-4-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS WHICH BIND TO THE SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR FOR THE TREATMENT OF MULTIPLE SCLEROSIS | Merck Serono S.A. (CH) | 2010-05-12 | — | — | EP | disclosed |
| WO-2009019167-A1 | 6-AMINO-PYRIMIDINE-4-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS WHICH BIND TO THE SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR FOR THE TREATMENT OF MULTIPLE SCLEROSIS | MERCK SERONO S.A. (CH) | 2009-02-12 | — | — | WO | disclosed |