Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TUBB1 | Q9H4B7 | 7/20 | 0.47 |
| ▸ | PKM | P14618 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.42 |
| ▸ | MEN1 | O00255 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.40 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.38 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.38 |
| ▸ | TAS1R2 | Q8TE23 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | MCL1 | Q07820 | 2/20 | 0.37 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.37 |
| ▸ | TUBB | P07437 | 1/20 | 0.37 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL8146611 | 0.92 | TUBB1 (0.46) | TUBB1KMT2AALDH1A1LMNAHTT | |
| SCHEMBL4864056 | 0.83 | TUBB1 (0.49) | TUBB1PKMKMT2AMEN1ALDH1A1 | |
| SCHEMBL8159015 | 0.76 | KMT2A (0.39) | KMT2AMEN1ALDH1A1LMNAHTT | |
| SCHEMBL1764953 | 0.75 | NPC1 (0.49) | TUBB1KMT2AMEN1ALDH1A1LMNA | |
| SCHEMBL8146118 | 0.75 | TUBB1 (0.52) | TUBB1KMT2AMEN1ALDH1A1LMNA | |
| SCHEMBL8160025 | 0.75 | AKR1C3 (0.37) | ALDH1A1SMN1; SMN2CYP1A2 | |
| SCHEMBL8159064 | 0.74 | PTGES (0.39) | ALDH1A1LMNA | |
| SCHEMBL8159445 | 0.73 | PTPN11 (0.39) | KMT2AMEN1ALDH1A1LMNA | |
| SCHEMBL8152034 | 0.72 | PTPN11 (0.41) | KMT2AMEN1ALDH1A1LMNA | |
| SCHEMBL8159554 | 0.72 | HTT (0.38) | KMT2AMEN1ALDH1A1LMNAHTT |
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-0996432-A2 | BIOLOGICALLY ACTIVE 1,3-BIS-AROMATIC-PROP-2-EN-1-ONES, 1,3-BIS-AROMATIC-PROPAN-1-ONES, AND 1,3-BIS-AROMATIC-PROP-2-YN-1-ONES | STATENS SERUMINSTITUT (DK) | 2000-05-03 | — | — | EP | claimed |
| WO-1999000114-A2 | BIOLOGICALLY ACTIVE 1,3-BIS-AROMATIC-PROP-2-EN-1-ONES, 1,3-BIS-AROMATIC-PROPAN-1-ONES, AND 1,3-BIS-AROMATIC-PROP-2-YN-1-ONES | STATENS SERUM INSTITUT (DK) | 1999-01-07 | — | — | WO | claimed |