Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 2/20 | 0.43 |
| ▸ | PDE9A | O76083 | 1/20 | 0.42 |
| ▸ | CTSV | O60911 | 1/20 | 0.41 |
| ▸ | CTSL | P07711 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 5/20 | 0.39 |
| ▸ | KIF11 | P52732 | 1/20 | 0.37 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.35 |
| ▸ | EGFR | P00533 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 3/20 | 0.35 |
| ▸ | RAB9A | P51151 | 3/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | CASP3 | P42574 | 1/20 | 0.35 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9957891 | 0.98 | TP53 (0.41) | TP53PDE9ACTSVCTSLACHE | |
| SCHEMBL30662419 | 0.86 | TP53 (0.54) | TP53PDE9ACTSVCTSLACHE | |
| SCHEMBL3000291 | 0.83 | KDM4E (0.42) | ACHECYP1A2ALDH1A1LMNAHPGD | |
| SCHEMBL3721509 | 0.82 | TP53 (0.48) | TP53PDE9ACTSVCTSLACHE | |
| SCHEMBL9486514 | 0.81 | NISCH (0.44) | TP53NISCHCYP2A6EGFRNPC1 | |
| SCHEMBL22810810 | 0.81 | ACHE (0.58) | TP53PDE9ACTSVCTSLACHE | |
| SCHEMBL9957347 | 0.80 | CTSV (0.48) | TP53CTSVCTSLACHEEGFR | |
| SCHEMBL12560663 | 0.79 | MAPK1 (0.48) | ACHECYP1A2EGFRALDH1A1LMNA | |
| SCHEMBL1505829 | 0.78 | ACHE (0.49) | TP53PDE9AACHESMN1; SMN2ALDH1A1 | |
| SCHEMBL29603166 | 0.77 | MAPK1 (0.50) | ACHECYP1A2EGFRNPC1RAB9A |
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-1221434-B1 | HYDROCARBON COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT AND ORGANIC ELECTROLUMINESCENT ELEMENT | MITSUI CHEMICALS INC (JP) | 2012-06-27 | — | — | EP | disclosed |
| US-7166240-B2 | Hydrocarbon compounds, materials for organic electroluminescent elements and organic electroluminescent elements | MITSUI CHEMICALS, INC. (JP) | 2007-01-23 | — | — | US | disclosed |
| US-20050074631-A1 | Hydrocarbon compounds, materials for organic electroluminescent elements and organic electroluminescent elements | MITSUI CHEMICALS, INC. (JP) | 2005-04-07 | — | — | US | disclosed |