Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | RXRA | P19793 | 1/20 | 0.32 |
| ▸ | RXRB | P28702 | 1/20 | 0.32 |
| ▸ | RXRG | P48443 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CA4 | P22748 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
| ▸ | CFTR | P13569 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL2926198 | 0.83 | CA1 (0.38) | HSD17B10KDM4EALDH1A1HPGDTSHR | |
| SCHEMBL19130846 | 0.79 | KEAP1 (0.39) | HSD17B10KDM4EALDH1A1HPGDKEAP1 | |
| SCHEMBL31446281 | 0.76 | CA1 (0.42) | HSD17B10KDM4EALDH1A1HPGDKEAP1 | |
| SCHEMBL9769151 | 0.73 | VRK1 (0.33) | — | |
| SCHEMBL15971303 | 0.73 | KDM4E (0.40) | HSD17B10KDM4EALDH1A1HPGDKEAP1 | |
| SCHEMBL9141412 | 0.72 | KIF11 (0.31) | ALDH1A1 | |
| SCHEMBL22115216 | 0.72 | SMN1; SMN2 (0.44) | TSHRSMN1; SMN2RXRARXRBRXRG | |
| SCHEMBL6725463 | 0.71 | DPP4 (0.33) | KEAP1TSHRSMN1; SMN2RXRARXRB | |
| SCHEMBL6726442 | 0.71 | SOS1 (0.38) | TSHRSMN1; SMN2RXRARXRBRXRG | |
| SCHEMBL8994430 | 0.71 | CA1 (0.48) | HSD17B10KDM4EALDH1A1HPGDKEAP1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5068436-A | Hydrogenation of halonitrobenzenes without dehalogenation | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1991-11-26 | — | — | US | disclosed |