Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PGK1 | P00558 | 1/20 | 0.43 |
| ▸ | PGK2 | P07205 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.36 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.35 |
| ▸ | CA2 | P00918 | 2/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | TYR | P14679 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | ATP2A2 | P16615 | 1/20 | 0.33 |
| ▸ | ATP2A3 | Q93084 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL18802740 | 0.92 | PGK1 (0.37) | PGK1PGK2CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL15957610 | 0.91 | CYP1A2 (0.37) | PGK1PGK2CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL16838070 | 0.84 | PGK1 (0.42) | PGK1PGK2SMN1; SMN2 | |
| SCHEMBL18802760 | 0.81 | ALDH1A1 (0.40) | CYP1A2CYP2C9CYP2C19GABRA1GABRB2 | |
| SCHEMBL18802725 | 0.79 | LMNA (0.42) | CA2POLBALOX15TP53CYP3A4 | |
| SCHEMBL27489165 | 0.75 | CYP2C9 (0.44) | PGK1PGK2CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL9272585 | 0.74 | ESR1 (0.41) | ALDH1A1TYRALOX15CYP3A4TSHR | |
| SCHEMBL12180439 | 0.74 | TDP1 (0.46) | CYP1A2ALDH1A1SMN1; SMN2CA2POLB | |
| SCHEMBL15831663 | 0.74 | PGK1 (0.47) | PGK1PGK2CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL9115636 | 0.74 | SMN1; SMN2 (0.42) | CYP1A2CYP2C9ALDH1A1SMN1; SMN2CA2 |
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-4814405-A | ISOBUTYLENE | UNIVERSITY OF AKRON (US) | 1989-03-21 | — | — | US | disclosed |
| US-4767885-A | POLYISOBUTYLENES; 1,3-DI(2-BROMO-2-PROPYL)-5-TERT-BUTYLBENZENE BINIFER | UNIVERSITY OF AKRON (US) | 1988-08-30 | — | — | US | disclosed |