Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 4/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | POLQ | O75417 | 1/20 | 0.35 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.34 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | BACE1 | P56817 | 1/20 | 0.33 |
| ▸ | CFTR | P13569 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | LTC4S | Q16873 | 1/20 | 0.33 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL22453355 | 0.83 | S100B (0.50) | KIF11ALDH1A1SCN9APKMBACE1 | |
| SCHEMBL13367596 | 0.80 | KIF11 (0.50) | KIF11ALDH1A1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL22453522 | 0.80 | DHFR (0.44) | KIF11ALDH1A1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL22453358 | 0.79 | MAPT (0.41) | ALDH1A1SCN9AKDM4EHSD17B10RAB9A | |
| SCHEMBL22453192 | 0.78 | KIF11 (0.59) | KIF11ALDH1A1TAAR1L3MBTL1PTGS1 | |
| SCHEMBL22452606 | 0.77 | ALDH1A1 (0.38) | ALDH1A1 | |
| SCHEMBL379155 | 0.76 | ALDH1A1 (0.52) | KIF11ALDH1A1PKMBACE1CFTR | |
| SCHEMBL17504172 | 0.75 | MTOR (0.42) | KIF11POLQSCN9ALTC4SPDK2 | |
| Hydrochloric Acid SCHEMBL30779699 | 0.74 | IDO1 (0.52) | KIF11ALDH1A1PKMBACE1CFTR | |
| Bromide SCHEMBL29950269 | 0.74 | ALDH1A1 (0.50) | KIF11ALDH1A1PKMBACE1CFTR |
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-2020190774-A1 | NOVEL SMALL MOLECULE INHIBITORS OF TEAD TRANSCRIPTION FACTORS | THE GENERAL HOSPITAL CORPORATION (US) | 2020-09-24 | — | — | WO | disclosed |