Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | CTSL | P07711 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | AMPD2 | Q01433 | 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 | |
|---|---|---|---|---|
| SCHEMBL8171873 | 0.90 | ALDH1A1 (0.40) | ALDH1A1POLBKMT2ALMNACYP1A2 | |
| Alcohol SCHEMBL11368781 | 0.85 | ALDH1A1 (0.37) | ALDH1A1POLBKMT2ALMNACYP1A2 | |
| SCHEMBL11078598 | 0.84 | TLR8 (0.41) | ALDH1A1POLBKMT2ALMNAAMPD2 | |
| SCHEMBL11381033 | 0.83 | TLR8 (0.40) | ALDH1A1POLBKMT2ALMNAAMPD2 | |
| Benzonitrile SCHEMBL11372385 | 0.83 | DRD2 (0.40) | POLBCYP1A2CYP2D6CYP2C19CTSL | |
| SCHEMBL2882020 | 0.79 | — | — | |
| Nitroethane SCHEMBL11374954 | 0.78 | TSHR (0.33) | ALDH1A1POLBKMT2ALMNAKDM4E | |
| Trichlorethanol SCHEMBL11368078 | 0.78 | ALDH1A1 (0.33) | ALDH1A1POLBKMT2ALMNAADORA2A | |
| SCHEMBL11371325 | 0.76 | TSHR (0.38) | ALDH1A1POLBKMT2ALMNACYP1A2 | |
| SCHEMBL11372866 | 0.74 | HSD11B1 (0.48) | KMT2ATSHR |
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 |
|---|---|---|---|---|---|---|---|
| US-4271308-A | FUNGICIDES | ROHM AND HAAS COMPANY (US) | 1981-06-02 | — | — | US | disclosed |
| US-4120864-A | FUNGICIDES | ROHM AND HAAS COMPANY (US) | 1978-10-17 | — | — | US | disclosed |