Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NSD2 | O96028 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | GRK2 | P25098 | 1/20 | 0.46 |
| ▸ | CASP6 | P55212 | 1/20 | 0.46 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.46 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.45 |
| ▸ | CTSB | P07858 | 1/20 | 0.45 |
| ▸ | QPCT | Q16769 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CAMK2A | Q9UQM7 | 1/20 | 0.42 |
| ▸ | RXRA | P19793 | 1/20 | 0.41 |
| ▸ | RXRB | P28702 | 1/20 | 0.41 |
| ▸ | RXRG | P48443 | 1/20 | 0.41 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.41 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.41 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.40 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8722675 | 0.78 | ESR1 (0.44) | TSHRMMP13 | |
| SCHEMBL9730386 | 0.76 | MMP13 (0.59) | MMP13MMP2MMP3MMP9 | |
| SCHEMBL22184094 | 0.75 | CA12 (0.59) | NSD2POLBGRK2CASP6CTDSP1 | |
| SCHEMBL10392048 | 0.74 | MMP13 (0.50) | GAATSHRMMP13MMP2MMP3 | |
| SCHEMBL9644504 | 0.74 | MMP13 (0.35) | POLBMMP13MMP2MMP3MMP9 | |
| SCHEMBL5124270 | 0.73 | ALDH1A1 (0.66) | POLBLMNA | |
| SCHEMBL6788342 | 0.73 | ALDH1A1 (0.61) | NSD2POLBGRK2CASP6CTDSP1 | |
| SCHEMBL9730839 | 0.73 | MMP13 (0.52) | POLBLMNAHTTMMP13MMP2 | |
| SCHEMBL6074717 | 0.69 | ITGB3 (0.59) | NSD2POLBGRK2CASP6CTDSP1 | |
| SCHEMBL9874462 | 0.69 | MMP13 (0.50) | POLBLMNAMMP13MMP2MMP3 |
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-5112938-A | CYANO- AND CARBOXY-SUBSTITUTED SPIRODILACTAMS | SHELL OIL COMPANY (US) | 1992-05-12 | — | — | US | disclosed |
| US-5037948-A | Cyano- and carboxy-substituted spirodilactams | SHELL OIL COMPANY (US) | 1991-08-06 | — | — | US | disclosed |