Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.39 |
| ▸ | CA2 | P00918 | 2/20 | 0.39 |
| ▸ | ACHE | P22303 | 2/20 | 0.39 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.37 |
| ▸ | EGFR | P00533 | 1/20 | 0.36 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.35 |
| ▸ | AGTR2 | P50052 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.34 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.34 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL19175928 | 0.89 | CA1 (0.45) | CA1CA2ACHERIPK1EGFR | |
| SCHEMBL19476035 | 0.83 | CA1 (0.39) | CA1CA2ACHERIPK1EGFR | |
| SCHEMBL19476245 | 0.83 | PSEN1 (0.42) | CA1CA2ACHEPTPN1 | |
| SCHEMBL19168589 | 0.81 | NPC1 (0.40) | EGFRHDAC8NPC1HPGDRAB9A | |
| SCHEMBL19476060 | 0.77 | MAOB (0.39) | PTPN1 | |
| SCHEMBL19476171 | 0.75 | PARP15 (0.46) | CA1CA2 | |
| SCHEMBL19476244 | 0.73 | PSEN1 (0.46) | — | |
| SCHEMBL17469676 | 0.73 | CES2 (0.40) | CA1CA2ACHESMN1; SMN2 | |
| SCHEMBL19476170 | 0.73 | KDM4E (0.47) | CA1CA2ACHEEGFRNPC1 | |
| SCHEMBL19476058 | 0.72 | KDM4E (0.40) | CA1CA2ACHE |
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-2017180248-A1 | ENANTIOENRICHED VIRIDICATUMTOXIN B ANALOGS | WILLIAM MARSH RICE UNIVERSITY (US) | 2017-10-19 | — | — | WO | disclosed |