Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.55 |
| ▸ | TP53 | P04637 | 1/20 | 0.55 |
| ▸ | CA1 | P00915 | 1/20 | 0.53 |
| ▸ | CA2 | P00918 | 1/20 | 0.53 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | CASP1 | P29466 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.49 |
| ▸ | MYC | P01106 | 2/20 | 0.47 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.47 |
| ▸ | ACLY | P53396 | 1/20 | 0.46 |
| ▸ | CCR2 | P41597 | 2/20 | 0.45 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.45 |
| ▸ | SERPINE1 | P05121 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL2126878 | 0.85 | SMN1; SMN2 (0.55) | ALDH1A1TP53CA1CA2LMNA | |
| SCHEMBL3524715 | 0.83 | ALDH1A1 (0.57) | ALDH1A1TP53CA1CA2TSHR | |
| SCHEMBL19437582 | 0.82 | ALDH1A1 (0.52) | ALDH1A1TP53CA1CA2LMNA | |
| SCHEMBL11153098 | 0.81 | CA2 (0.58) | ALDH1A1TP53CA1CA2LMNA | |
| SCHEMBL3521898 | 0.81 | ALDH1A1 (0.50) | ALDH1A1TP53CA1CA2TSHR | |
| SCHEMBL1017485 | 0.81 | ABL1 (0.54) | CA1CA2ACLYCCR2ADRA1D | |
| SCHEMBL12302140 | 0.79 | CSNK2A1 (0.55) | ALDH1A1LMNAHSD17B10ACLY | |
| SCHEMBL4892959 | 0.79 | LMNA (0.43) | ALDH1A1CA1CA2LMNAHSD17B10 | |
| SCHEMBL4892961 | 0.79 | CA12 (0.53) | ALDH1A1CA1CA2LMNATSHR | |
| SCHEMBL26580541 | 0.78 | KDM4E (0.52) | ALDH1A1CA1CA2LMNACASP1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5859283-A | TERTIARY-BUTYL 3-CYCLOALKYL-3-OXOPROPIONATE | RHONE-POULENC AGRICULTURE LIMITED (GB) | 1999-01-12 | — | — | US | disclosed |
| US-5747424-A | HEATING AN AROMATIC DIKETONE WITH A SALT OF HYDROXYLAMINE IN A SOLVENT | RHONE-POULENC AGRICULTURE LTD. (GB) | 1998-05-05 | — | — | US | disclosed |
| US-5656573-A | Herbicidal 4-substituted isoxazoles | RHONE-POULENC AGRICULTURE LTD. (GB) | 1997-08-12 | — | — | US | disclosed |
| US-5650533-A | Intermediates to herbicidal 4-substituted isoxazoles | RHONE-POULENC AGRICULTURE LTD. (GB) | 1997-07-22 | — | — | US | disclosed |