Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.40 |
| ▸ | MEN1 | O00255 | 4/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.40 |
| ▸ | HTT | P42858 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | CRHBP | P24387 | 1/20 | 0.40 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.40 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 4/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 3/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.31 |
| ▸ | TSHR | P16473 | 2/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.30 |
| ▸ | ADRB1 | P08588 | 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 | |
|---|---|---|---|---|
| SCHEMBL290576 | 0.79 | ADRB1 (0.42) | ALDH1A1MEN1KMT2AHTTMAPT | |
| SCHEMBL820124 | 0.70 | CYP1A2 (0.38) | ALDH1A1MEN1KMT2AHTTMAPT | |
| SCHEMBL3153767 | 0.69 | MAPT (0.40) | ALDH1A1MEN1KMT2AHTTMAPT | |
| Iodide SCHEMBL28719254 | 0.69 | KDM4E (0.38) | ALDH1A1MEN1KMT2AHTTMAPT | |
| SCHEMBL29672565 | 0.69 | CYP1A2 (0.36) | ALDH1A1MEN1KMT2AHTTMAPT | |
| Hydrochloric Acid SCHEMBL820541 | 0.69 | CYP1A2 (0.36) | ALDH1A1MEN1KMT2AHTTMAPT | |
| SCHEMBL12867936 | 0.68 | ALDH1A1 (0.39) | ALDH1A1HTTMAPTPOLBKDM4E | |
| SCHEMBL23931838 | 0.68 | GAA (0.38) | ALDH1A1MEN1KMT2AHTTMAPT | |
| SCHEMBL296285 | 0.67 | ADRB1 (0.44) | ALDH1A1MEN1KMT2AMAPTLMNA | |
| SCHEMBL15462283 | 0.66 | ALDH1A1 (0.61) | ALDH1A1MEN1KMT2AHTTMAPT |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0198325-B1 | SUBSTITUTED ANILINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 1992-07-15 | — | — | EP | disclosed |
| US-4891429-A | CHEMICAL INTERMEDIATES | HOFFMANN-LA ROCHE INC. (US) | 1990-01-02 | — | — | US | disclosed |
| US-4696930-A | CARDIOVASCULAR DISORDERS, ANTICOAGULANTS | HOFFMANN-LA ROCHE INC. (US) | 1987-09-29 | — | — | US | disclosed |
| EP-0198325-A2 | Substituted aniline derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 1986-10-22 | — | — | EP | disclosed |