Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.56 |
| ▸ | NPC1 | O15118 | 2/20 | 0.56 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.56 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.54 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.54 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.54 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.54 |
| ▸ | DEGS1 | O15121 | 1/20 | 0.54 |
| ▸ | MEN1 | O00255 | 3/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 2/20 | 0.53 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.51 |
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.49 |
| ▸ | METAP2 | P50579 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL1790000 | 0.92 | ALDH1A1 (0.59) | ALDH1A1SMN1; SMN2NPC1EPHX2HDAC8 | |
| SCHEMBL2949436 | 0.92 | ALDH1A1 (0.59) | ALDH1A1SMN1; SMN2NPC1EPHX2HDAC8 | |
| SCHEMBL2944396 | 0.92 | ALDH1A1 (0.59) | ALDH1A1SMN1; SMN2NPC1EPHX2HDAC8 | |
| SCHEMBL31003794 | 0.91 | ALDH1A1 (0.53) | ALDH1A1SMN1; SMN2NPC1EPHX2HDAC8 | |
| SCHEMBL16684739 | 0.91 | HDAC8 (0.61) | ALDH1A1SMN1; SMN2NPC1EPHX2HDAC8 | |
| SCHEMBL15214831 | 0.88 | ALDH1A1 (0.56) | ALDH1A1SMN1; SMN2NPC1EPHX2HDAC8 | |
| SCHEMBL12488363 | 0.87 | HDAC1 (0.56) | ALDH1A1SMN1; SMN2NPC1EPHX2HDAC8 | |
| SCHEMBL21656481 | 0.85 | ALDH1A1 (0.60) | ALDH1A1SMN1; SMN2NPC1EPHX2HDAC8 | |
| SCHEMBL21656950 | 0.85 | ALDH1A1 (0.60) | ALDH1A1SMN1; SMN2NPC1EPHX2HDAC8 | |
| SCHEMBL7330029 | 0.85 | HDAC8 (0.59) | ALDH1A1SMN1; SMN2NPC1EPHX2HDAC8 |
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 |