Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | F2RL1 | P55085 | 2/20 | 0.33 |
| ▸ | FDPS | P14324 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | TBXAS1 | P24557 | 2/20 | 0.31 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.30 |
| ▸ | TYRO3 | Q06418 | 1/20 | 0.30 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL3734749 | 0.85 | ALDH1A1 (0.38) | ALDH1A1KDM4ENPC1RAB9AF2RL1 | |
| SCHEMBL1487897 | 0.83 | ELANE (0.42) | ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2 | |
| SCHEMBL1646347 | 0.80 | KDM4E (0.32) | ALDH1A1KDM4ENPC1RAB9A | |
| SCHEMBL384128 | 0.79 | ALDH1A1 (0.37) | ALDH1A1KDM4ENPC1RAB9AFDPS | |
| SCHEMBL7766524 | 0.79 | ALDH1A1 (0.41) | ALDH1A1KDM4ENPC1RAB9AFDPS | |
| SCHEMBL667770 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL2493637 | 0.78 | ALDH1A1 (0.40) | ALDH1A1KDM4ENPC1RAB9AFDPS | |
| SCHEMBL9063985 | 0.78 | ALDH1A1 (0.40) | ALDH1A1KDM4ENPC1RAB9AFDPS | |
| SCHEMBL645698 | 0.78 | ALDH1A1 (0.36) | ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2 | |
| SCHEMBL15528122 | 0.78 | TXN (0.37) | ALDH1A1KDM4ENPC1RAB9ASMN1; 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-2002083938-A2 | SCREENING METHODS FOR IDENTIFYING LIGANDS | EMERALD BIOSTRUCTURES, INC. (US) | 2002-10-24 | — | — | WO | disclosed |
| US-4069203-A | ORGANIC DIBASIC ACID, IMIDAZOLE DERIVATIVE | SHELL OIL COMPANY (US) | 1978-01-17 | — | — | US | disclosed |