Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 3/20 | 0.47 |
| ▸ | HTT | P42858 | 2/20 | 0.47 |
| ▸ | CYP26A1 | O43174 | 1/20 | 0.44 |
| ▸ | CYP26B1 | Q9NR63 | 1/20 | 0.44 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.43 |
| ▸ | EDNRB | P24530 | 1/20 | 0.41 |
| ▸ | EDNRA | P25101 | 1/20 | 0.41 |
| ▸ | CYTH2 | Q99418 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | BRD4 | O60885 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL8713217 | 0.70 | ALDH1A1 (0.31) | ALDH1A1SMN1; SMN2 | |
| SCHEMBL8714063 | 0.70 | ALDH1A1 (0.32) | ALDH1A1SMN1; SMN2 | |
| SCHEMBL2371862 | 0.69 | HSP90AA1 (0.42) | ALDH1A1SMN1; SMN2LMNAHTTCYP2C19 | |
| SCHEMBL8716967 | 0.69 | MEN1 (0.36) | ALDH1A1SMN1; SMN2LMNACYP1A2CYP3A4 | |
| SCHEMBL13183198 | 0.68 | RAPGEF4 (0.42) | ALDH1A1SMN1; SMN2LMNAHTTEDNRA | |
| SCHEMBL4047614 | 0.68 | HSP90AA1 (0.37) | ALDH1A1SMN1; SMN2LMNAHTTCYP2C19 | |
| SCHEMBL8720009 | 0.68 | MAPT (0.44) | ALDH1A1SMN1; SMN2LMNAHTTKDM4E | |
| Hydrochloric Acid SCHEMBL8717770 | 0.67 | EZH2 (0.30) | — | |
| SCHEMBL12811732 | 0.66 | HSP90AA1 (0.38) | ALDH1A1SMN1; SMN2LMNAHTTCYP2C19 | |
| SCHEMBL8718408 | 0.66 | MEN1 (0.39) | ALDH1A1SMN1; SMN2LMNACYP1A2CYP3A4 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5770772-A | 4-FORMYLAMINO-2,3,5-TRIMETHYL-1-(2-METHYL-2-PROPENYLOXY) -BENZENE; ARTERIOSCLEROSIS, BRAIN AND CARDIOVASCULAR DISORDERS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1998-06-23 | — | — | US | disclosed |
| US-5594154-A | 5-AMINO-2-BROMOMETHYL-2,4,6,7-TETRAMETHYL-2,3-DIHYDROBENZO(B) FURANS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1997-01-14 | — | — | US | disclosed |
| US-5478844-A | Method of using aminocoumaran derivatives for treating cerebrovascular diseases | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1995-12-26 | — | — | US | disclosed |
| EP-0483772-B1 | Aminocoumaran derivatives, their production and use | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 1995-09-13 | — | — | EP | disclosed |
| US-5376681-A | Aminocoumaran derivatives, their production and use | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1994-12-27 | — | — | US | disclosed |
| EP-0483772-A1 | Aminocoumaran derivatives, their production and use | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1992-05-06 | — | — | EP | disclosed |