Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK2 | Q15119 | 2/20 | 0.47 |
| ▸ | STS | P08842 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 2/20 | 0.41 |
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | ESR1 | P03372 | 1/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 4/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | PRKCZ | Q05513 | 1/20 | 0.41 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL227343 | 0.90 | RAB9A (0.50) | STSNPC1RAB9ASMN1; SMN2MAPT | |
| SCHEMBL4194244 | 0.83 | STS (0.62) | PDK2STSCA1CA2CA12 | |
| SCHEMBL14052264 | 0.79 | ESR1 (0.44) | PDK2STSNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL14720856 | 0.79 | STS (0.68) | PDK2STSCA1CA2CA12 | |
| SCHEMBL24197027 | 0.79 | NPC1 (0.49) | STSNPC1RAB9ASMN1; SMN2CA1 | |
| SCHEMBL155819 | 0.79 | NPC1 (0.68) | NPC1RAB9ASMN1; SMN2MAPTCA1 | |
| SCHEMBL1602359 | 0.79 | RAB9A (0.49) | STSNPC1RAB9ASMN1; SMN2CA1 | |
| SCHEMBL31058820 | 0.79 | RAB9A (0.49) | STSNPC1RAB9ASMN1; SMN2CA1 | |
| SCHEMBL12319501 | 0.79 | NPC1 (0.49) | PDK2STSNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL6883943 | 0.78 | NPC1 (0.48) | PDK2STSNPC1RAB9ASMN1; SMN2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0962445-B1 | Acetylene compound, liquid crystal composition and liquid crystal element | MITSUI CHEMICALS INC (JP) | 2003-02-26 | — | — | EP | disclosed |
| US-6217793-B1 | Acetylene compound, liquid crystal composition and liquid crystal element | MITSUI CHEMICALS, INC. (JP) | 2001-04-17 | — | — | US | disclosed |
| EP-0962445-A1 | Acetylene compound, liquid crystal composition and liquid crystal element | Mitsui Chemicals, Inc. (JP) | 1999-12-08 | — | — | EP | disclosed |