Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.70 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | GAA | P10253 | 2/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.42 |
| ▸ | CTRC | Q99895 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.40 |
| ▸ | CES2 | O00748 | 1/20 | 0.39 |
| ▸ | CES1 | P23141 | 1/20 | 0.39 |
| ▸ | ORAI1 | Q96D31 | 1/20 | 0.39 |
| ▸ | ORAI2 | Q96SN7 | 1/20 | 0.39 |
| ▸ | ORAI3 | Q9BRQ5 | 1/20 | 0.39 |
| ▸ | TRPV6 | Q9H1D0 | 1/20 | 0.39 |
| ▸ | IDO1 | P14902 | 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 | |
|---|---|---|---|---|
| Biphenyl SCHEMBL27859632 | 0.86 | CYP1A2 (0.93) | CYP1A2TSHRALDH1A1LMNAKDM4E | |
| SCHEMBL30122416 | 0.83 | ALDH1A1 (0.60) | CYP1A2ALDH1A1CTRCSMN1; SMN2 | |
| SCHEMBL4454036 | 0.83 | CYP1A2 (1.00) | CYP1A2TSHRALDH1A1LMNAKDM4E | |
| SCHEMBL183912 | 0.83 | CYP1A2 (1.00) | CYP1A2TSHRALDH1A1LMNAKDM4E | |
| SCHEMBL10011381 | 0.83 | ALDH1A1 (0.60) | CYP1A2ALDH1A1CTRCSMN1; SMN2 | |
| SCHEMBL4450944 | 0.83 | — | — | |
| Phosphine SCHEMBL5144006 | 0.80 | CYP1A2 (0.94) | CYP1A2TSHRALDH1A1LMNAKDM4E | |
| Fluoride SCHEMBL29262360 | 0.80 | ALDH1A1 (0.56) | CYP1A2ALDH1A1CTRCSMN1; SMN2 | |
| Water SCHEMBL10875875 | 0.80 | CYP1A2 (0.94) | CYP1A2TSHRALDH1A1LMNAKDM4E | |
| Water SCHEMBL6336149 | 0.80 | CYP1A2 (0.94) | CYP1A2TSHRALDH1A1LMNAKDM4E |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-3992456-A | BY REACTING BUTADIENE WITH WATER IN THE PRESENCE OF A PALLADIUM CATALYST | UNION CARBIDE CORPORATION (US) | 1976-11-16 | — | — | US | disclosed |