Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 3/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 2/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9715971 | 0.87 | CYP2A6 (0.41) | CYP2A6POLBTDP1HPGD | |
| SCHEMBL9715954 | 0.80 | POLB (0.39) | L3MBTL1MEN1KMT2ATSHRLMNA | |
| SCHEMBL9715930 | 0.78 | IDO1 (0.37) | TSHRLMNANPSR1ALDH1A1POLB | |
| SCHEMBL9715956 | 0.78 | IDO1 (0.38) | L3MBTL1MEN1KMT2ATSHRLMNA | |
| SCHEMBL9715967 | 0.73 | MEN1 (0.36) | MEN1KMT2ATSHRLMNANPSR1 | |
| SCHEMBL9715968 | 0.72 | CA12 (0.47) | MEN1KMT2ATSHRLMNACYP1A2 | |
| SCHEMBL9715984 | 0.72 | ALDH1A1 (0.48) | L3MBTL1TSHRLMNACYP1A2ALDH1A1 | |
| SCHEMBL536696 | 0.71 | MAPK1 (0.62) | L3MBTL1TSHRLMNANPSR1ALDH1A1 | |
| SCHEMBL9715962 | 0.69 | GAA (0.39) | CYP2A6LMNAALDH1A1POLBKDM4E | |
| SCHEMBL9715979 | 0.66 | KMO (0.46) | TSHRLMNACYP1A2CYP3A4ALDH1A1 |
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-5102898-A | Halosubstituted alkyne group; fungicides | ROHM AND HAAS COMPANY (US) | 1992-04-07 | — | — | US | disclosed |