Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.97 |
| ▸ | TSHR | P16473 | 1/20 | 0.97 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.61 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.60 |
| ▸ | RECQL | P46063 | 1/20 | 0.59 |
| ▸ | MAPT | P10636 | 3/20 | 0.59 |
| ▸ | PPARD | Q03181 | 1/20 | 0.57 |
| ▸ | MEN1 | O00255 | 1/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.57 |
| ▸ | PTGDR2 | Q9Y5Y4 | 2/20 | 0.56 |
| ▸ | NPC1 | O15118 | 1/20 | 0.55 |
| ▸ | RAB9A | P51151 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.55 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.55 |
| ▸ | LMNA | P02545 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| 2,4-Dichlorophenoxyacetic Acid SCHEMBL158138 | 0.98 | TDP1 (1.00) | TDP1TSHRSMN1; SMN2CYP2C19RECQL | |
| 2,4-Dichlorophenoxyacetic Acid SCHEMBL9578938 | 0.98 | TDP1 (1.00) | TDP1TSHRSMN1; SMN2CYP2C19RECQL | |
| 2,4-Dichlorophenoxyacetic Acid SCHEMBL16197647 | 0.98 | TDP1 (1.00) | TDP1TSHRSMN1; SMN2CYP2C19RECQL | |
| 2,4-Dichlorophenoxyacetic Acid SCHEMBL5400218 | 0.95 | TDP1 (0.94) | TDP1TSHRSMN1; SMN2CYP2C19RECQL | |
| 2,4-Dichlorophenoxyacetic Acid SCHEMBL23250565 | 0.94 | TDP1 (0.91) | TDP1TSHRSMN1; SMN2CYP2C19RECQL | |
| 2,4-Dichlorophenoxyacetic Acid SCHEMBL17203456 | 0.94 | TDP1 (0.91) | TDP1TSHRSMN1; SMN2CYP2C19RECQL | |
| 2,4-Dichlorophenoxyacetic Acid SCHEMBL3397959 | 0.94 | TDP1 (0.91) | TDP1TSHRSMN1; SMN2CYP2C19RECQL | |
| 2,4-Dichlorophenoxyacetic Acid SCHEMBL583960 | 0.94 | TDP1 (0.96) | TDP1TSHRSMN1; SMN2CYP2C19RECQL | |
| 2,4-Dichlorophenoxyacetic Acid SCHEMBL22557994 | 0.93 | TDP1 (0.89) | TDP1TSHRSMN1; SMN2CYP2C19RECQL | |
| 2,4-Dichlorophenoxyacetic Acid SCHEMBL9403549 | 0.93 | TDP1 (0.89) | TDP1TSHRSMN1; SMN2CYP2C19RECQL |
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-4312861-A | Pharmaceutical compositions containing N-alkyl-N-(nuclearly-substituted) benzylamines having vasotonia-regulating activity | HOECHST AKTIENGESELLSCHAFT (DE) | 1982-01-26 | — | — | US | disclosed |