Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 9/20 | 0.65 |
| ▸ | MEN1 | O00255 | 8/20 | 0.65 |
| ▸ | MAPT | P10636 | 7/20 | 0.65 |
| ▸ | MAOB | P27338 | 4/20 | 0.65 |
| ▸ | ATM | Q13315 | 4/20 | 0.65 |
| ▸ | USP2 | O75604 | 2/20 | 0.65 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.65 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.65 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.64 |
| ▸ | HPGD | P15428 | 4/20 | 0.64 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.64 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.61 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.61 |
| ▸ | SLC16A3 | O15427 | 1/20 | 0.61 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.61 |
| ▸ | SLC16A1 | P53985 | 1/20 | 0.61 |
| ▸ | GBA1 | P04062 | 1/20 | 0.59 |
| ▸ | NPC1 | O15118 | 1/20 | 0.56 |
| ▸ | STAT3 | P40763 | 1/20 | 0.56 |
| ▸ | STAT1 | P42224 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL27310284 | 0.92 | ALDH1A1 (0.65) | KMT2AMEN1MAPTMAOBATM | |
| SCHEMBL27309210 | 0.88 | KMT2A (0.59) | KMT2AMEN1MAPTMAOBATM | |
| SCHEMBL15179178 | 0.87 | KMT2A (0.64) | KMT2AMEN1MAPTMAOBATM | |
| SCHEMBL19686997 | 0.87 | KMT2A (0.64) | KMT2AMEN1MAPTMAOBATM | |
| SCHEMBL16293207 | 0.84 | KMT2A (0.73) | KMT2AMEN1MAPTMAOBATM | |
| SCHEMBL17644096 | 0.84 | AKR1B10 (0.61) | KMT2AMEN1MAPTMAOBALDH1A1 | |
| SCHEMBL13081989 | 0.84 | KMT2A (0.70) | KMT2AMEN1MAPTMAOBATM | |
| SCHEMBL13403918 | 0.83 | KMT2A (0.71) | KMT2AMEN1MAPTMAOBATM | |
| SCHEMBL580009 | 0.83 | MEN1 (0.77) | KMT2AMEN1MAPTMAOBATM | |
| SCHEMBL29611843 | 0.83 | MEN1 (0.77) | KMT2AMEN1MAPTMAOBATM |
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 |