Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKA | O14965 | 1/20 | 0.53 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.53 |
| ▸ | CDK2 | P24941 | 2/20 | 0.43 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | NT5E | P21589 | 2/20 | 0.38 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | DNMT1 | P26358 | 1/20 | 0.37 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.37 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.37 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.37 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.37 |
| ▸ | PLAU | P00749 | 1/20 | 0.37 |
| ▸ | NCF1 | P14598 | 1/20 | 0.37 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.37 |
| ▸ | UQCRB | P14927 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL28065857 | 0.83 | TTR (0.47) | AURKAAURKBCDK2NR4A1ALDH1A1 | |
| SCHEMBL27412761 | 0.82 | AURKA (0.51) | AURKAAURKBCDK2NR4A1KDM4E | |
| SCHEMBL6535288 | 0.81 | AURKA (0.47) | AURKAAURKBCDK2NR4A1KDM4E | |
| SCHEMBL8077141 | 0.79 | AURKA (0.45) | AURKAAURKBCDK2NR4A1NT5E | |
| SCHEMBL2587316 | 0.78 | ALDH1A1 (0.39) | AURKAAURKBCDK2NR4A1ALDH1A1 | |
| SCHEMBL1755214 | 0.77 | AURKA (0.49) | AURKAAURKBCDK2NR4A1KDM4E | |
| SCHEMBL3205852 | 0.76 | AURKA (0.57) | AURKAAURKBCDK2NR4A1KDM4E | |
| SCHEMBL4383279 | 0.76 | AURKA (0.49) | AURKAAURKBCDK2NR4A1KDM4E | |
| Formaldehyde SCHEMBL7583067 | 0.74 | AURKA (0.46) | AURKAAURKBCDK2NR4A1KDM4E | |
| SCHEMBL28065908 | 0.74 | AURKA (0.50) | AURKAAURKBCDK2NR4A1ALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4143033-A | WATER-SOLUBLE DISAZO DYESTUFFS CONTAINING A 2-PHENYL-BENZIMIDAZOLYL,-BENZOXAZOLYL OR-BENZTHIAZOLYL MIDDLE COMPONENT | CASSELLA AKTIENGESELLSCHAFT (DE) | 1979-03-06 | — | — | US | disclosed |
| US-4033946-A | Tetrakisazo dyestuffs | BAYER AKTIENGESELLSCHAFT (DT) | 1977-07-05 | — | — | US | disclosed |
| US-3995995-A | Process for dyeing fibres containing amide groups | BAYER AKTIENGESELLSCHAFT (DT) | 1976-12-07 | — | — | US | disclosed |