Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 1/20 | 0.55 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.55 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | HTR1D | P28221 | 2/20 | 0.37 |
| ▸ | RXRB | P28702 | 4/20 | 0.37 |
| ▸ | RXRA | P19793 | 3/20 | 0.37 |
| ▸ | RXRG | P48443 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | TYR | P14679 | 1/20 | 0.35 |
| ▸ | KIF11 | P52732 | 2/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL45127 | 0.89 | GABRA1 (0.40) | GABRA1GABRB2POLBTSHRALDH1A1 | |
| SCHEMBL93161 | 0.86 | GABRA1 (0.69) | GABRA1GABRB2POLBKDM4EGAA | |
| SCHEMBL10415675 | 0.82 | GABRA1 (0.65) | GABRA1GABRB2POLBKDM4EGAA | |
| SCHEMBL10394690 | 0.82 | GABRA1 (0.65) | GABRA1GABRB2POLBKDM4EGAA | |
| SCHEMBL190968 | 0.78 | GABRA1 (0.52) | GABRA1GABRB2POLBKDM4EGAA | |
| SCHEMBL7203019 | 0.77 | KIF11 (0.52) | GABRA1GABRB2GAAMAPTRXRB | |
| Formaldehyde SCHEMBL22558111 | 0.76 | GABRA1 (0.58) | GABRA1GABRB2POLBKDM4EGAA | |
| SCHEMBL4572745 | 0.76 | GABRA1 (0.58) | GABRA1GABRB2POLBKDM4EGAA | |
| SCHEMBL28241863 | 0.75 | GABRA1 (0.50) | GABRA1GABRB2POLBKDM4EGAA | |
| SCHEMBL1655430 | 0.73 | GABRA1 (0.55) | GABRA1GABRB2POLBKDM4EGAA |
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 |