Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.34 |
| ▸ | HCAR2 | Q8TDS4 | 2/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.33 |
| ▸ | TNKS | O95271 | 1/20 | 0.33 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.33 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.33 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.33 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.33 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6527809 | 1.00 | ALDH1A1 (0.37) | ALDH1A1GAATBXAS1L3MBTL1KMT2A | |
| SCHEMBL14853970 | 0.81 | ALDH1A1 (0.38) | ALDH1A1GAATBXAS1L3MBTL1KMT2A | |
| SCHEMBL28740498 | 0.79 | NPSR1 (0.38) | ALDH1A1GAATBXAS1L3MBTL1KMT2A | |
| SCHEMBL20141099 | 0.79 | NPSR1 (0.38) | ALDH1A1GAATBXAS1L3MBTL1KMT2A | |
| SCHEMBL781347 | 0.68 | GABRP (0.37) | L3MBTL1KMT2AKDM4ETSHR | |
| SCHEMBL1756842 | 0.68 | TBXAS1 (0.40) | ALDH1A1GAATBXAS1L3MBTL1KMT2A | |
| SCHEMBL1756847 | 0.68 | TBXAS1 (0.40) | ALDH1A1GAATBXAS1L3MBTL1KMT2A | |
| Hydrochloric Acid SCHEMBL28743230 | 0.67 | GABRP (0.36) | L3MBTL1KMT2AKDM4ETSHR | |
| SCHEMBL2154525 | 0.67 | ALDH1A1 (0.41) | ALDH1A1GAATBXAS1L3MBTL1KMT2A | |
| SCHEMBL13403421 | 0.64 | SCN9A (0.39) | ALDH1A1KMT2ANPC1RAB9ASMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2005032594-A2 | ALKYLATORS LINKED TO POLYAMIDES AS DNA BINDING AGENTS | THE GOVERNMENT OF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 2005-04-14 | — | — | WO | claimed |
| WO-2005032594-A2 | ALKYLATORS LINKED TO POLYAMIDES AS DNA BINDING AGENTS | THE GOVERNMENT OF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 2005-04-14 | — | — | WO | disclosed |