Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 5/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 6/20 | 0.32 |
| ▸ | CES2 | O00748 | 1/20 | 0.32 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.32 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.32 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 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 | |
|---|---|---|---|---|
| SCHEMBL9058495 | 0.86 | — | — | |
| SCHEMBL9058494 | 0.86 | — | — | |
| SCHEMBL4429201 | 0.77 | — | — | |
| SCHEMBL2716472 | 0.77 | — | — | |
| SCHEMBL751024 | 0.77 | — | — | |
| SCHEMBL4767183 | 0.77 | — | — | |
| SCHEMBL11639406 | 0.73 | ALDH1A1 (0.39) | ALDH1A1ATMTSHRHPGDHCAR2 | |
| SCHEMBL11639402 | 0.73 | ALDH1A1 (0.39) | ALDH1A1ATMTSHRHPGDHCAR2 | |
| SCHEMBL4437389 | 0.73 | ALDH1A1 (0.39) | ALDH1A1ATMTSHRHPGDHCAR2 | |
| SCHEMBL4437386 | 0.73 | ALDH1A1 (0.39) | ALDH1A1ATMTSHRHPGDHCAR2 |
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-1996016013-A1 | METHOD OF MAKING 2,7-DIMETHYL-2,4,6-OCTATRIENEDIAL, A KEY INTERMEDIATE IN THE COMMERCIAL SYNTHESES OF VARIOUS CAROTENOIDS | LOYOLA UNIVERSITY OF CHICAGO (US) | 1996-05-30 | — | — | WO | disclosed |
| US-5471005-A | Method of making 2,7-dimethyl-2,4,6-octatrienedial, a key intermediate in the commercial syntheses of various carotenoids | LOYOLA UNIVERSITY OF CHICAGO (US) | 1995-11-28 | — | — | US | disclosed |