Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACACB | O00763 | 3/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9508734 | 0.97 | ACACB (0.33) | ACACBCYP2C9RAB9AMAPTMEN1 | |
| SCHEMBL9512502 | 0.97 | RAB9A (0.35) | ACACBCYP2C9RAB9AMAPTMEN1 | |
| SCHEMBL9512361 | 0.96 | SPHK1 (0.33) | ACACBCYP2C9RAB9AMAPTMEN1 | |
| SCHEMBL9511489 | 0.96 | SPHK1 (0.33) | ACACBCYP2C9RAB9AMAPTMEN1 | |
| SCHEMBL9511457 | 0.96 | CYP2C9 (0.33) | CYP2C9RAB9AMAPTMEN1MAPK1 | |
| SCHEMBL9511356 | 0.94 | CYP2C9 (0.33) | CYP2C9RAB9AMAPTMEN1MAPK1 | |
| SCHEMBL9510157 | 0.94 | RAB9A (0.34) | ACACBCYP2C9RAB9AMAPTMEN1 | |
| SCHEMBL9508834 | 0.94 | CYP2C9 (0.39) | ACACBCYP2C9MAPTMEN1MAPK1 | |
| SCHEMBL9510166 | 0.94 | CYP2C9 (0.34) | ACACBCYP2C9RAB9AMAPTMEN1 | |
| SCHEMBL9512396 | 0.93 | SPHK1 (0.33) | CYP2C9RAB9AMAPTMEN1MAPK1 |
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-0308438-B1 | LIQUID CRYSTAL PHASE CONTAINING TOLANES | MERCK PATENT GmbH (DE) | 1993-09-29 | — | — | EP | disclosed |