Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | HPGD | P15428 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.33 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.33 |
| ▸ | S100A4 | P26447 | 1/20 | 0.32 |
| ▸ | TYMS | P04818 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | PARP1 | P09874 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL8778438 | 0.78 | TSHR (0.52) | CYP3A4TSHRALDH1A1HPGDKDM4E | |
| SCHEMBL27722411 | 0.78 | TSHR (0.52) | CYP3A4TSHRALDH1A1HPGDKDM4E | |
| SCHEMBL10612830 | 0.76 | CYP3A4 (0.50) | CYP3A4TSHRALDH1A1HPGDKDM4E | |
| SCHEMBL22319171 | 0.76 | CYP3A4 (0.50) | CYP3A4TSHRALDH1A1HPGDKDM4E | |
| SCHEMBL9234941 | 0.76 | CYP3A4 (0.50) | CYP3A4TSHRALDH1A1HPGDKDM4E | |
| SCHEMBL28796218 | 0.76 | CYP3A4 (0.50) | CYP3A4TSHRALDH1A1HPGDKDM4E | |
| SCHEMBL27869597 | 0.76 | CYP3A4 (0.50) | CYP3A4TSHRALDH1A1HPGDKDM4E | |
| SCHEMBL29137337 | 0.74 | CYP3A4 (0.48) | CYP3A4TSHRALDH1A1HPGDKDM4E | |
| SCHEMBL28851623 | 0.74 | CYP3A4 (0.48) | CYP3A4TSHRALDH1A1HPGDKDM4E | |
| SCHEMBL28530453 | 0.74 | CYP3A4 (0.48) | CYP3A4TSHRALDH1A1HPGDKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| WO-1995019408-A1 | HYDRATE INHIBITION | BP EXPLORATION OPERATING COMPANY LIMITED (GB) | 1995-07-20 | — | — | WO | disclosed |
| WO-1994025727-A1 | HYDRATE INHIBITION | BP EXPLORATION OPERATING COMPANY LIMITED (GB) | 1994-11-10 | — | — | WO | disclosed |