Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | AR | P10275 | 3/20 | 0.43 |
| ▸ | CETP | P11597 | 1/20 | 0.41 |
| ▸ | GFER | P55789 | 1/20 | 0.40 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.39 |
| ▸ | POLQ | O75417 | 2/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL457496 | 0.85 | ALDH1A1 (0.61) | ALDH1A1CYP3A4GFERACHEMEN1 | |
| SCHEMBL30565134 | 0.85 | ALDH1A1 (0.61) | ALDH1A1CYP3A4GFERACHEMEN1 | |
| Lithium Ion SCHEMBL19732664 | 0.83 | ALDH1A1 (0.59) | ALDH1A1CYP3A4GFERACHEMEN1 | |
| SCHEMBL21065767 | 0.83 | ALDH1A1 (0.59) | ALDH1A1CYP3A4GFERACHEMEN1 | |
| Hydrochloric Acid SCHEMBL8958612 | 0.83 | ALDH1A1 (0.59) | ALDH1A1CYP3A4GFERACHEMEN1 | |
| SCHEMBL9365623 | 0.81 | ALDH1A1 (0.52) | ALDH1A1CYP3A4GFERACHEMEN1 | |
| SCHEMBL10505172 | 0.81 | TSHR (0.53) | ALDH1A1CYP3A4ARGFERACHE | |
| SCHEMBL24581119 | 0.81 | ALDH1A1 (0.73) | ALDH1A1CYP3A4ARS1PR1ACHE | |
| SCHEMBL23977864 | 0.80 | AR (0.41) | ALDH1A1CYP3A4ARCETPACHE | |
| Hydrochloric Acid SCHEMBL9437914 | 0.79 | ALDH1A1 (0.50) | ALDH1A1CYP3A4GFERACHEMEN1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4101540-A | USEFUL FOR DYEING ACRYLONITRILE POLYMERS OR ACID-MODIFIED POLYESTERS OR POLYAMIDES | PRODUITS CHIMIQUES UGINE KUHLMANN (FR) | 1978-07-18 | — | — | US | disclosed |