Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 3/20 | 0.40 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | DOT1L | Q8TEK3 | 1/20 | 0.35 |
| ▸ | GRIA1 | P42261 | 1/20 | 0.35 |
| ▸ | CACNG8 | Q8WXS5 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | RORC | P51449 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL16746561 | 0.85 | CYP1A2 (0.43) | ALDH1A1KDM4ECYP1A2CYP2A6LMNA | |
| SCHEMBL1107763 | 0.82 | CYP2A6 (0.45) | ALDH1A1KDM4ECYP1A2CYP2A6GAA | |
| Hydrochloric Acid SCHEMBL2857487 | 0.79 | CYP2A6 (0.43) | ALDH1A1KDM4ECYP1A2CYP2A6GAA | |
| SCHEMBL21994163 | 0.79 | KDM4E (0.44) | ESR1S1PR4ALDH1A1KDM4ESMN1; SMN2 | |
| SCHEMBL21993730 | 0.79 | ESR1 (0.46) | ESR1S1PR4ALDH1A1KDM4ECYP1A2 | |
| Hydrochloric Acid SCHEMBL10932574 | 0.77 | CYP2A6 (0.41) | ALDH1A1KDM4ECYP1A2CYP2A6GAA | |
| SCHEMBL4926772 | 0.77 | HDAC6 (0.44) | ESR1S1PR4LMNAGAADOT1L | |
| SCHEMBL3787606 | 0.76 | MAPT (0.44) | ALDH1A1KDM4ECYP1A2CYP2A6LMNA | |
| SCHEMBL23637881 | 0.76 | ESR1 (0.43) | ESR1S1PR4ALDH1A1KDM4ELMNA | |
| SCHEMBL21592410 | 0.76 | S1PR4 (0.47) | ESR1S1PR4ALDH1A1LMNANPC1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019183358-A2 | WHOLE CELL PROCESSES TO PRODUCE NITROAROMATICS | UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) | 2019-09-26 | — | — | WO | disclosed |