Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 2/20 | 0.35 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.34 |
| ▸ | PPARG | P37231 | 1/20 | 0.34 |
| ▸ | PPARA | Q07869 | 1/20 | 0.34 |
| ▸ | UBE2M | P61081 | 10/20 | 0.34 |
| ▸ | DCUN1D1 | Q96GG9 | 10/20 | 0.34 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.33 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.33 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.33 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8429203 | 0.91 | TACR1 (0.33) | TACR1TRPA1PPARGPPARAUBE2M | |
| SCHEMBL8429038 | 0.91 | TACR1 (0.34) | TACR1TRPA1PPARGPPARAUBE2M | |
| SCHEMBL8429096 | 0.81 | UBE2M (0.38) | TACR1TRPA1PPARGPPARAUBE2M | |
| SCHEMBL8430965 | 0.79 | PDK1 (0.36) | PDK1PDK2PDK3PDK4ALDH1A1 | |
| SCHEMBL8429153 | 0.77 | SIRT2 (0.37) | ALDH1A1 | |
| SCHEMBL8431034 | 0.77 | ALDH1A1 (0.41) | UBE2MDCUN1D1ALDH1A1 | |
| SCHEMBL8431230 | 0.76 | RAB9A (0.40) | PDK1PDK2PDK3PDK4ALDH1A1 | |
| SCHEMBL8430957 | 0.76 | PLAU (0.38) | UBE2MDCUN1D1ALDH1A1 | |
| SCHEMBL8429053 | 0.76 | BACE1 (0.36) | PDK1PDK2PDK3PDK4ALDH1A1 | |
| SCHEMBL8428894 | 0.76 | BACE1 (0.36) | PDK1PDK2PDK3PDK4ALDH1A1 |
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-5952381-A | SELECTIVELY INHIBITING OR ANTAGONIZING THE INTEGRINS; ANTITUMOR AGENTS, ANTIARTHRITIC AGENTS, VIRICIDES, MICROBIOCIDES; TREATING OSTEOPOROSIS, SKIN DISORDERS | G. D. SEARLE & CO. (US) | 1999-09-14 | — | — | US | claimed |