Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | BRD4 | O60885 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | CTSD | P07339 | 3/20 | 0.35 |
| ▸ | GUSB | P08236 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL11720091 | 0.80 | ALDH1A1 (0.36) | ALDH1A1LMNATSHRPKMRAB9A | |
| SCHEMBL11725537 | 0.77 | IRAK4 (0.38) | ALDH1A1MAPK1LMNATHRBTSHR | |
| SCHEMBL11724268 | 0.76 | BRD4 (0.41) | ALDH1A1MAPK1LMNAIRAK4PKM | |
| SCHEMBL11725390 | 0.74 | ALDH1A1 (0.52) | ALDH1A1MAPK1LMNATHRBTSHR | |
| SCHEMBL11727128 | 0.73 | KDM4E (0.41) | ALDH1A1MAPK1LMNATSHRRAB9A | |
| SCHEMBL11725545 | 0.72 | CXCR3 (0.43) | ALDH1A1LMNATSHRIRAK4PKM | |
| SCHEMBL11725524 | 0.70 | ALDH1A1 (0.47) | ALDH1A1MAPK1LMNATHRBTSHR | |
| SCHEMBL11720098 | 0.67 | KCNK13 (0.35) | ALDH1A1LMNAPKMRAB9ARXFP1 | |
| SCHEMBL27154650 | 0.66 | KDM4E (0.61) | ALDH1A1LMNATSHRRAB9ACYP1A2 | |
| SCHEMBL11729078 | 0.65 | KDM4E (0.53) | ALDH1A1MAPK1LMNATHRBTSHR |
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 |
|---|---|---|---|---|---|---|---|
| US-4053472-A | MICROBIOCIDES | SCHERING AKTIENGESELLSCHAFT (DT) | 1977-10-11 | — | — | US | disclosed |