Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | SCN5A | Q14524 | 2/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | MAOA | P21397 | 1/20 | 0.44 |
| ▸ | CNR1 | P21554 | 1/20 | 0.44 |
| ▸ | DRD4 | P21917 | 1/20 | 0.44 |
| ▸ | ACHE | P22303 | 1/20 | 0.44 |
| ▸ | HRH2 | P25021 | 1/20 | 0.44 |
| ▸ | HTR2A | P28223 | 1/20 | 0.44 |
| ▸ | HTR2C | P28335 | 1/20 | 0.44 |
| ▸ | NTSR1 | P30989 | 1/20 | 0.44 |
| ▸ | HRH1 | P35367 | 1/20 | 0.44 |
| ▸ | DRD3 | P35462 | 1/20 | 0.44 |
| ▸ | SCN1A | P35498 | 1/20 | 0.44 |
| ▸ | HTR2B | P41595 | 1/20 | 0.44 |
| ▸ | SCN7A | Q01118 | 1/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL28003021 | 0.83 | CYP17A1 (0.47) | CA1CA2CA12CA9 | |
| SCHEMBL22661373 | 0.82 | POLB (0.50) | POLBLMNASCN5AMAPK1CYP1A2 | |
| SCHEMBL9809366 | 0.81 | POLB (0.49) | POLBLMNASCN5AMAPK1CYP1A2 | |
| SCHEMBL9365801 | 0.80 | POLB (0.47) | POLBLMNASCN5AMAPK1CYP1A2 | |
| SCHEMBL10699417 | 0.80 | SCN5A (0.46) | POLBLMNASCN5AMAPK1CYP1A2 | |
| SCHEMBL22940491 | 0.79 | POLB (0.72) | POLBLMNASCN5AMAPK1CYP1A2 | |
| SCHEMBL1063141 | 0.79 | ALDH1A1 (0.51) | POLBLMNASCN5AMAPK1CYP1A2 | |
| SCHEMBL2338862 | 0.79 | ALDH1A1 (0.48) | POLBLMNASCN5AMAPK1CYP1A2 | |
| SCHEMBL23619645 | 0.79 | CA1 (0.47) | POLBLMNAMAPK1RAB9ARECQL | |
| SCHEMBL22941423 | 0.78 | POLB (0.47) | POLBLMNASCN5AMAPK1CYP1A2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5395838-A | Aromatic aminomethyl substitutes compounds | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1995-03-07 | — | — | US | disclosed |
| US-5252573-A | Quinazoline derivatives | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1993-10-12 | — | — | US | disclosed |
| US-5089499-A | Anticarcinogenic agents; thymidylate synthetase inhibitors; antiallergens; psoriasis | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1992-02-18 | — | — | US | disclosed |