Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 5/20 | 0.40 |
| ▸ | NPC1 | O15118 | 4/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | CASP3 | P42574 | 1/20 | 0.38 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.38 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.38 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.38 |
| ▸ | S1PR1 | P21453 | 3/20 | 0.38 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.38 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.38 |
| ▸ | LPAR2 | Q9HBW0 | 1/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.38 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.38 |
| ▸ | RELA | Q04206 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL10654411 | 0.99 | S1PR1 (0.40) | RAB9ANPC1SMN1; SMN2TP53PKM | |
| SCHEMBL10656199 | 0.99 | S1PR1 (0.40) | RAB9ANPC1SMN1; SMN2TP53PKM | |
| SCHEMBL10656567 | 0.99 | S1PR1 (0.40) | RAB9ANPC1SMN1; SMN2TP53PKM | |
| SCHEMBL10657340 | 0.99 | S1PR1 (0.40) | RAB9ANPC1SMN1; SMN2TP53PKM | |
| SCHEMBL10652618 | 0.87 | S1PR1 (0.39) | RAB9ANPC1SMN1; SMN2HSD17B10MAPT | |
| SCHEMBL10656337 | 0.87 | S1PR1 (0.39) | RAB9ANPC1SMN1; SMN2HSD17B10MAPT | |
| SCHEMBL10657700 | 0.87 | S1PR1 (0.39) | RAB9ANPC1SMN1; SMN2HSD17B10MAPT | |
| SCHEMBL10658863 | 0.87 | S1PR1 (0.39) | RAB9ANPC1SMN1; SMN2HSD17B10MAPT | |
| SCHEMBL10656470 | 0.87 | S1PR1 (0.39) | RAB9ANPC1SMN1; SMN2HSD17B10MAPT | |
| SCHEMBL9511976 | 0.83 | RAB9A (0.48) | RAB9ANPC1SMN1; SMN2TP53PKM |
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-0257048-A1 | OPTICALLY ACTIVE COMPOUNDS. | MERCK PATENT GMBH (DE) | 1988-03-02 | — | — | EP | disclosed |
| WO-1987005018-A2 | OPTICALLY ACTIVE COMPOUNDS | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 1987-08-27 | — | — | WO | disclosed |