Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCHE | P06276 | 5/20 | 0.45 |
| ▸ | CYP4F2 | P78329 | 3/20 | 0.41 |
| ▸ | CYP4A11 | Q02928 | 3/20 | 0.41 |
| ▸ | ACHE | P22303 | 2/20 | 0.41 |
| ▸ | IGF1R | P08069 | 2/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.41 |
| ▸ | CA2 | P00918 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | BACE1 | P56817 | 1/20 | 0.38 |
| ▸ | SKP2 | Q13309 | 1/20 | 0.37 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 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 | |
|---|---|---|---|---|
| Toluene SCHEMBL9422293 | 0.85 | BCHE (0.46) | BCHECYP4F2CYP4A11ACHEIGF1R | |
| SCHEMBL1098961 | 0.82 | SKP2 (0.42) | ACHEALOX15ALDH1A1KDM4EALOX5 | |
| SCHEMBL10771486 | 0.81 | CYP3A4 (0.44) | ACHEALOX15ALDH1A1KDM4EALOX5 | |
| Toluene SCHEMBL2566595 | 0.79 | TDP1 (0.45) | CYP4F2CYP4A11ACHEIGF1RALOX15 | |
| Toluene SCHEMBL3501801 | 0.79 | TDP1 (0.45) | CYP4F2CYP4A11ACHEIGF1RALOX15 | |
| Toluene SCHEMBL7558595 | 0.79 | TDP1 (0.45) | CYP4F2CYP4A11ACHEIGF1RALOX15 | |
| Toluene SCHEMBL4286321 | 0.79 | TDP1 (0.45) | CYP4F2CYP4A11ACHEIGF1RALOX15 | |
| SCHEMBL8959966 | 0.78 | CYP4A11 (0.40) | BCHECYP4F2CYP4A11CA2ALDH1A1 | |
| SCHEMBL17471702 | 0.78 | BCHE (0.42) | BCHECYP4F2CYP4A11ACHEIGF1R | |
| SCHEMBL38652213 | 0.77 | TAAR1 (0.57) | BCHEIGF1RALOX15ALDH1A1KDM4E |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4116973-A | DEHYDROINDIGO DI(ALKYL ACYLATES), COLOR PRODUCING | NCR CORPORATION (US) | 1978-09-26 | — | — | US | disclosed |
| US-3978270-A | DEHYDROINDIGO DI(ALKYL ACYLATES) | NCR CORPORATION (US) | 1976-08-31 | — | — | US | disclosed |