Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | LCK | P06239 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | SCN10A | Q9Y5Y9 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | PARP1 | P09874 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | PLAU | P00749 | 1/20 | 0.38 |
| ▸ | AGBL2 | Q5U5Z8 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL1996711 | 0.73 | KMT2A (1.00) | KMT2APARP1MAPK1SMN1; SMN2LMNA | |
| SCHEMBL5173369 | 0.71 | LCK (0.56) | KMT2ALCKPARP1SMN1; SMN2LMNA | |
| SCHEMBL30310860 | 0.71 | KMT2A (0.55) | KMT2AALDH1A1PARP1MAPK1KDM4E | |
| SCHEMBL7449066 | 0.71 | KMT2A (0.47) | KMT2APARP1MAPK1KDM4E | |
| SCHEMBL29925974 | 0.70 | LCK (0.45) | KMT2ALCKLMNA | |
| SCHEMBL22411383 | 0.70 | KMT2A (0.43) | KMT2ACYP1A2CYP2C19ALDH1A1GAA | |
| SCHEMBL7145196 | 0.69 | LCK (0.47) | KMT2ACYP1A2LCKALDH1A1MAPT | |
| SCHEMBL24506792 | 0.69 | HTR1D (0.33) | — | |
| SCHEMBL18372036 | 0.69 | SMN1; SMN2 (0.49) | AGBL2SMN1; SMN2HTTRAB9A | |
| SCHEMBL29921698 | 0.68 | KMT2A (0.51) | KMT2ACYP1A2CYP2C19ALDH1A1GAA |
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 |
|---|---|---|---|---|---|---|---|
| CN-113631535-B | Heteroaryl and bisheteroaryl derivatives for the treatment of iron death-related disorders | 协同医药发展有限公司 | 2024-04-12 | — | — | CN | disclosed |