Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.76 |
| ▸ | CYP1A1 | P04798 | 6/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 6/20 | 0.53 |
| ▸ | CYP1B1 | Q16678 | 6/20 | 0.53 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.52 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.50 |
| ▸ | PARP3 | Q9Y6F1 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.47 |
| ▸ | LMNA | P02545 | 3/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.47 |
| ▸ | FBP1 | P09467 | 1/20 | 0.42 |
| ▸ | STS | P08842 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL195687 | 0.87 | ALDH1A1 (1.00) | ALDH1A1CYP1A1CYP1A2CYP1B1CYP2A6 | |
| SCHEMBL6855481 | 0.83 | PARP10 (0.53) | ALDH1A1CYP2A6PARP10PARP3KDM4E | |
| SCHEMBL2774995 | 0.82 | CYP1A1 (0.52) | ALDH1A1CYP1A1CYP1A2CYP1B1HTR2A | |
| SCHEMBL5050902 | 0.82 | PARP10 (0.65) | ALDH1A1CYP2A6PARP10PARP3KDM4E | |
| SCHEMBL1663469 | 0.82 | PARP10 (0.65) | ALDH1A1CYP2A6PARP10PARP3KDM4E | |
| SCHEMBL2149062 | 0.81 | ALDH1A1 (0.86) | ALDH1A1CYP1A1CYP1A2CYP1B1CYP2A6 | |
| SCHEMBL19914058 | 0.81 | ALDH1A1 (0.86) | ALDH1A1CYP1A1CYP1A2CYP1B1CYP2A6 | |
| Fluoromethane SCHEMBL28219755 | 0.81 | ALDH1A1 (0.62) | ALDH1A1CYP2A6PARP10PARP3KDM4E | |
| SCHEMBL28066041 | 0.80 | PARP10 (0.50) | ALDH1A1CYP2A6PARP10PARP3KDM4E | |
| SCHEMBL6142753 | 0.80 | PARP10 (0.50) | ALDH1A1CYP2A6PARP10PARP3KDM4E |
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-5403934-A | Heterocyclic compounds | BURROUGHS WELLCOME CO. (US) | 1995-04-04 | — | — | US | disclosed |
| WO-1991013873-A1 | HETEROCYCLIC COMPOUNDS | THE WELLCOME FOUNDATION LIMITED (GB) | 1991-09-19 | — | — | WO | disclosed |
| EP-0447164-A1 | Heterocyclic compounds | THE WELLCOME FOUNDATION LIMITED (GB) | 1991-09-18 | — | — | EP | disclosed |