Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.35 |
| ▸ | CES1 | P23141 | 1/20 | 0.35 |
| ▸ | MAOA | P21397 | 2/20 | 0.35 |
| ▸ | MAOB | P27338 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.34 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | PTBP1 | P26599 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 2/20 | 0.33 |
| ▸ | CA2 | P00918 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL29337015 | 0.69 | SMN1; SMN2 (0.36) | CES2CES1MAOAMAOBNPC1 | |
| SCHEMBL19495183 | 0.69 | GAA (0.40) | MAOAMAOBRAB9ASMN1; SMN2LMNA | |
| SCHEMBL19073928 | 0.67 | HPGD (0.36) | NPC1RAB9ASMN1; SMN2LMNAALDH1A1 | |
| SCHEMBL17868843 | 0.65 | MAOA (0.52) | CES2CES1MAOAMAOBNPC1 | |
| SCHEMBL28911310 | 0.65 | DRD4 (0.37) | CES2CES1MAOAMAOBNPC1 | |
| SCHEMBL28911309 | 0.65 | DRD4 (0.37) | CES2CES1MAOAMAOBNPC1 | |
| SCHEMBL8553233 | 0.64 | CES2 (0.42) | CES2CES1MAOAMAOBNPC1 | |
| SCHEMBL28398411 | 0.64 | SMN1; SMN2 (0.49) | NPC1RAB9ASMN1; SMN2LMNAPTBP1 | |
| SCHEMBL31051245 | 0.64 | CES2 (0.34) | CES2CES1MAOAMAOBNPC1 | |
| SCHEMBL8519584 | 0.64 | NPC1 (0.55) | CES2CES1NPC1RAB9APTPN1 |
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-2019185631-A1 | 4—(1H— IMIDAZOL— 5— YL) -1H-PYRROLO [2, 3-B] PYRIDINES FOR USE IN THE TREATMENT OF LEUKAEMIAS, LYMPHOMAS AND SOLID TUMORS | MASARYKOVA UNIVERZITA (CZ) | 2019-10-03 | — | — | WO | disclosed |