Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B10 | O60218 | 10/20 | 0.63 |
| ▸ | AKR1B1 | P15121 | 10/20 | 0.63 |
| ▸ | NPC1 | O15118 | 2/20 | 0.62 |
| ▸ | RAB9A | P51151 | 2/20 | 0.62 |
| ▸ | AKR1A1 | P14550 | 2/20 | 0.61 |
| ▸ | CBR1 | P16152 | 2/20 | 0.61 |
| ▸ | AKR1C4 | P17516 | 2/20 | 0.61 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.61 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.61 |
| ▸ | AKR1C1 | Q04828 | 2/20 | 0.61 |
| ▸ | MAOB | P27338 | 2/20 | 0.59 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.58 |
| ▸ | MEN1 | O00255 | 3/20 | 0.58 |
| ▸ | S1PR4 | O95977 | 3/20 | 0.58 |
| ▸ | GLA | P06280 | 3/20 | 0.58 |
| ▸ | GAA | P10253 | 3/20 | 0.58 |
| ▸ | S1PR1 | P21453 | 3/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.58 |
| ▸ | HPGD | P15428 | 2/20 | 0.58 |
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 | |
|---|---|---|---|---|
| SCHEMBL17644096 | 0.88 | AKR1B10 (0.61) | AKR1B10AKR1B1NPC1RAB9AAKR1A1 | |
| SCHEMBL18620897 | 0.87 | AKR1B10 (0.62) | AKR1B10AKR1B1NPC1RAB9AAKR1A1 | |
| SCHEMBL18789739 | 0.86 | AKR1B10 (0.61) | AKR1B10AKR1B1NPC1RAB9AAKR1A1 | |
| SCHEMBL23960027 | 0.84 | AKR1B10 (0.68) | AKR1B10AKR1B1NPC1RAB9AAKR1A1 | |
| SCHEMBL22800560 | 0.83 | AKR1B10 (0.70) | AKR1B10AKR1B1NPC1RAB9AAKR1A1 | |
| SCHEMBL19687065 | 0.82 | AKR1B10 (0.60) | AKR1B10AKR1B1NPC1RAB9AAKR1A1 | |
| SCHEMBL15179344 | 0.82 | AKR1B10 (0.60) | AKR1B10AKR1B1NPC1RAB9AAKR1A1 | |
| SCHEMBL11073365 | 0.81 | AKR1B10 (0.74) | AKR1B10AKR1B1NPC1RAB9AAKR1A1 | |
| SCHEMBL21416637 | 0.79 | MAOA (0.60) | AKR1B10AKR1B1NPC1RAB9AAKR1A1 | |
| SCHEMBL25508932 | 0.79 | AKR1B10 (0.50) | AKR1B10AKR1B1NPC1RAB9AAKR1A1 |
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-2017040990-A1 | PEPTIDOMIMETIC MACROCYCLES AND USES THEREOF | AILERON THERAPEUTICS, INC. (US) | 2017-03-09 | — | — | WO | disclosed |