Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 1/20 | 0.40 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | ATP2A2 | P16615 | 1/20 | 0.36 |
| ▸ | ATP2A3 | Q93084 | 1/20 | 0.36 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.34 |
| ▸ | TYR | P14679 | 2/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.34 |
| ▸ | HTT | P42858 | 2/20 | 0.34 |
| ▸ | NR1I2 | O75469 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | MIF | P14174 | 1/20 | 0.34 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7177257 | 0.95 | GABRA1 (0.40) | GABRA1GABRB2POLBALDH1A1ALOX15 | |
| Potassium Ion SCHEMBL11494507 | 0.95 | GABRA1 (0.40) | GABRA1GABRB2POLBALDH1A1ALOX15 | |
| Lithium Ion SCHEMBL3626995 | 0.95 | GABRA1 (0.40) | GABRA1GABRB2POLBALDH1A1ALOX15 | |
| SCHEMBL2638545 | 0.95 | GABRA1 (0.40) | GABRA1GABRB2POLBALDH1A1ALOX15 | |
| SCHEMBL6352500 | 0.92 | GABRA1 (0.39) | GABRA1GABRB2POLBALDH1A1ALOX15 | |
| SCHEMBL6356731 | 0.90 | GABRA1 (0.37) | GABRA1GABRB2POLBALDH1A1ALOX15 | |
| SCHEMBL20597506 | 0.78 | CYP2C19 (0.36) | GABRA1GABRB2POLBALDH1A1SMN1; SMN2 | |
| Butylated Hydroxytoluene SCHEMBL23090058 | 0.74 | SMN1; SMN2 (0.54) | POLBALDH1A1ALOX15SMN1; SMN2CYP1A2 | |
| Butylated Hydroxytoluene SCHEMBL20455508 | 0.74 | SMN1; SMN2 (0.54) | POLBALDH1A1ALOX15SMN1; SMN2CYP1A2 | |
| Butylated Hydroxytoluene SCHEMBL7738522 | 0.74 | SMN1; SMN2 (0.54) | POLBALDH1A1ALOX15SMN1; SMN2CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1040114-B1 | METHOD FOR PRODUCING DI-ORGANO ALKALINE-EARTH COMPOUNDS | BASF AG (DE) | 2003-03-12 | — | — | EP | claimed |
| US-6348166-B1 | Method for producing di-organo alkaline-earth compounds | BASF AKTIENGESELLSCHAFT (DE) | 2002-02-19 | — | — | US | claimed |