Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | LYPLA1 | O75608 | 1/20 | 0.31 |
| ▸ | LYPLA2 | O95372 | 1/20 | 0.31 |
| ▸ | MAOB | P27338 | 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 | |
|---|---|---|---|---|
| SCHEMBL8662821 | 0.88 | ALDH1A1 (0.36) | ALDH1A1CYP3A4ALOX15LYPLA1LYPLA2 | |
| SCHEMBL6906537 | 0.80 | SLC6A2 (0.43) | ALDH1A1CYP3A4 | |
| SCHEMBL21857995 | 0.80 | BCHE (0.40) | ALDH1A1ALOX15 | |
| SCHEMBL7182926 | 0.79 | CA1 (0.32) | — | |
| SCHEMBL6913089 | 0.76 | SKP2 (0.42) | ALDH1A1CYP3A4 | |
| SCHEMBL21857988 | 0.76 | CA2 (0.35) | ALDH1A1ALOX15 | |
| SCHEMBL14678440 | 0.73 | HDAC4 (0.31) | — | |
| SCHEMBL21858014 | 0.73 | KDM4E (0.42) | ALDH1A1 | |
| SCHEMBL6914459 | 0.73 | CNR1 (0.40) | — | |
| SCHEMBL28106014 | 0.73 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5631203-A | Metallocene compounds and preparation thereof containing terminal alkynes | PHILLIPS PETROLEUM COMPANY (US) | 1997-05-20 | — | — | US | claimed |
| US-5744666-A | Process for preparing an alkynyl fulvene group containing compound and said compound | PHILLIPS PETROLEUM COMPANY (US) | 1998-04-28 | — | — | US | disclosed |
| US-5728908-A | Process for preparing a bridged ligand and said bridged ligand | PHILLIPS PETROLEUM COMPANY (US) | 1998-03-17 | — | — | US | disclosed |
| US-5631203-A | Metallocene compounds and preparation thereof containing terminal alkynes | PHILLIPS PETROLEUM COMPANY (US) | 1997-05-20 | — | — | US | disclosed |