Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.32 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.31 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.30 |
| ▸ | SLC1A2 | P43004 | 2/20 | 0.30 |
| ▸ | SLC1A1 | P43005 | 2/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | ATM | Q13315 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | GABRR1 | P24046 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL18223630 | 0.90 | AKR1C3 (0.31) | AKR1C3AKR1C1SLC1A2SLC1A1 | |
| SCHEMBL9013474 | 0.77 | TAS1R3 (0.45) | KDM4EMAPT | |
| SCHEMBL275220 | 0.73 | AKR1C3 (0.37) | SLC6A3AKR1C3AKR1C1LMNAMAPT | |
| SCHEMBL10764783 | 0.73 | AKR1C3 (0.37) | SLC6A3AKR1C3AKR1C1LMNAMAPT | |
| SCHEMBL10504926 | 0.73 | SLC6A3 (0.36) | SLC6A3AKR1C3AKR1C1LMNAKMT2A | |
| SCHEMBL7860288 | 0.73 | AKR1C3 (0.37) | SLC6A3AKR1C3AKR1C1LMNAMAPT | |
| SCHEMBL2141358 | 0.73 | AKR1C3 (0.37) | SLC6A3AKR1C3AKR1C1LMNAMAPT | |
| SCHEMBL3958134 | 0.71 | SLC6A3 (0.35) | SLC6A3AKR1C3AKR1C1 | |
| SCHEMBL5716917 | 0.69 | SLC6A3 (0.31) | SLC6A3AKR1C3AKR1C1 | |
| SCHEMBL21335065 | 0.67 | DAO (0.31) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0450694-B1 | Process of producing functionalized elastomeric polymers | SHELL INT RESEARCH (NL) | 1995-06-07 | — | — | EP | disclosed |
| EP-0450694-A2 | Process of producing functionalized elastomeric polymers | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1991-10-09 | — | — | EP | disclosed |