Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.44 |
| ▸ | TPMT | P51580 | 2/20 | 0.42 |
| ▸ | CA1 | P00915 | 2/20 | 0.42 |
| ▸ | CA2 | P00918 | 2/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA4 | P22748 | 1/20 | 0.42 |
| ▸ | CA6 | P23280 | 1/20 | 0.42 |
| ▸ | CA7 | P43166 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.42 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | HCAR3 | P49019 | 4/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL27771418 | 0.91 | ALDH1A1 (0.43) | ALDH1A1PTGER4TPMTCA1CA2 | |
| SCHEMBL28427204 | 0.85 | ALDH1A1 (0.48) | ALDH1A1PTGER4TPMTCA1CA2 | |
| SCHEMBL408849 | 0.83 | CA1 (0.44) | ALDH1A1PTGER4TPMTCA1CA2 | |
| SCHEMBL27890104 | 0.82 | HTT (0.53) | ALDH1A1PTGER4TPMTCA1CA2 | |
| SCHEMBL3199979 | 0.81 | RXRA (0.43) | ALDH1A1MAPTFOLH1HTTKDM4E | |
| SCHEMBL2234436 | 0.80 | FOLH1 (0.44) | ALDH1A1CA1CA2CA12CA4 | |
| SCHEMBL1176410 | 0.79 | ALDH1A1 (0.50) | ALDH1A1TPMTCA1CA2CA12 | |
| SCHEMBL21821510 | 0.78 | APEX1 (0.44) | CA1CA2CA12CA4CA6 | |
| SCHEMBL15573768 | 0.77 | CA12 (0.59) | ALDH1A1PTGER4TPMTCA1CA2 | |
| SCHEMBL27828702 | 0.77 | EGFR (0.54) | ALDH1A1PTGER4FOLH1KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| CN-101835775-A | 4, 4-disubstituted piperidines | NOVARTIS AG | 2010-09-15 | — | — | CN | disclosed |