Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 2/20 | 0.52 |
| ▸ | HDAC1 | Q13547 | 5/20 | 0.49 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.49 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.49 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.48 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.48 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.48 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.48 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.48 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.48 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.48 |
| ▸ | CYP2J2 | P51589 | 1/20 | 0.48 |
| ▸ | BCHE | P06276 | 2/20 | 0.48 |
| ▸ | ACHE | P22303 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL5453020 | 0.81 | NPC1 (0.60) | BCHEACHEKMT2AKCNH2 | |
| SCHEMBL13814798 | 0.81 | BCHE (0.67) | HDAC1HDAC3HDAC2SMN1; SMN2HDAC8 | |
| SCHEMBL10555303 | 0.80 | CYP2C9 (0.50) | GSK3BHDAC1HDAC3HDAC2HDAC8 | |
| SCHEMBL19707265 | 0.80 | KMT2A (0.50) | SMN1; SMN2BCHEACHEALDH1A1MAPT | |
| SCHEMBL241664 | 0.80 | GSK3B (0.70) | GSK3BHDAC1HDAC3HDAC2SMN1; SMN2 | |
| SCHEMBL25244154 | 0.79 | ACHE (0.83) | BCHEACHEALDH1A1MAPT | |
| SCHEMBL3392114 | 0.79 | KMT2A (0.51) | GSK3BHDAC1HDAC3HDAC2SMN1; SMN2 | |
| SCHEMBL18605000 | 0.78 | NPC1 (0.41) | HDAC1HDAC3HDAC2SMN1; SMN2BCHE | |
| SCHEMBL29826066 | 0.78 | NPC1 (0.41) | HDAC1HDAC3HDAC2SMN1; SMN2BCHE | |
| SCHEMBL17065065 | 0.78 | MAPT (0.51) | BCHEACHEALDH1A1MAPTHPGD |
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-1280809-A1 | ANTITUMORAL ECTEINASCIDIN DERIVATIVES | PHARMA MAR, S.A. (ES) | 2003-02-05 | — | — | EP | disclosed |
| WO-2001077115-A1 | ANTITUMORAL ECTEINASCIDIN DERIVATIVES | PHARMA MAR, S.A. (ES) | 2001-10-18 | — | — | WO | disclosed |