Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | CACNA1F | O60840 | 3/20 | 0.40 |
| ▸ | CACNA1D | Q01668 | 3/20 | 0.40 |
| ▸ | CACNA1S | Q13698 | 3/20 | 0.40 |
| ▸ | CACNA1C | Q13936 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | NPY1R | P25929 | 1/20 | 0.36 |
| ▸ | NPY2R | P49146 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7592823 | 0.86 | ALDH1A1 (0.42) | ALDH1A1TSHRKDM4EHTTTDP1 | |
| SCHEMBL7593446 | 0.83 | TSHR (0.44) | ALDH1A1TSHRKDM4EMAPTHTT | |
| SCHEMBL19795501 | 0.83 | ALDH1A1 (0.56) | ALDH1A1TSHRCACNA1FCACNA1DCACNA1S | |
| SCHEMBL7591337 | 0.81 | ALDH1A1 (0.47) | ALDH1A1TSHRKDM4ETDP1TP53 | |
| SCHEMBL7597693 | 0.80 | CA12 (0.41) | ALDH1A1KDM4EMAPTNPC1 | |
| SCHEMBL7590145 | 0.79 | L3MBTL1 (0.39) | ALDH1A1SMN1; SMN2TP53CTSS | |
| SCHEMBL7590153 | 0.78 | TSHR (0.50) | ALDH1A1TSHRTDP1TP53MAPK1 | |
| SCHEMBL7595297 | 0.78 | CFTR (0.50) | KDM4EMAPT | |
| SCHEMBL7595389 | 0.77 | TSHR (0.51) | ALDH1A1TSHRKDM4ETDP1TP53 | |
| SCHEMBL7595315 | 0.76 | ALDH1A1 (0.39) | ALDH1A1CTSS |
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 |
|---|---|---|---|---|---|---|---|
| EP-0968994-B1 | PROCESS FOR PRODUCING SUBSTITUTED TRIFLUOROBENZOIC ACIDS AND ESTERS THEREOF | UBE INDUSTRIES (JP) | 2002-11-06 | — | — | EP | claimed |