Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | CAMKK1 | Q8N5S9 | 3/20 | 0.35 |
| ▸ | CAMKK2 | Q96RR4 | 3/20 | 0.35 |
| ▸ | SCN9A | Q15858 | 9/20 | 0.35 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.34 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.33 |
| ▸ | CNR2 | P34972 | 1/20 | 0.32 |
| ▸ | LIPC | P11150 | 1/20 | 0.32 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL28419131 | 0.79 | OPRL1 (0.36) | ALDH1A1LMNAMAPTCYP2C9 | |
| SCHEMBL28426915 | 0.78 | KDM4E (0.33) | ALDH1A1LMNAMAPTCYP2C9CNR2 | |
| SCHEMBL15945924 | 0.77 | CYP2C9 (0.45) | ALDH1A1LMNAMAPTCYP2C9NOTUM | |
| SCHEMBL15945922 | 0.74 | CYP2C9 (0.42) | ALDH1A1LMNAMAPTCYP2C9NOTUM | |
| SCHEMBL15968588 | 0.72 | TSHR (0.44) | ALDH1A1LMNAMAPTTSHRHSD17B10 | |
| SCHEMBL5835910 | 0.71 | CYP2C9 (0.41) | ALDH1A1LMNAMAPTCYP2C9 | |
| SCHEMBL5837468 | 0.71 | CYP2C9 (0.41) | ALDH1A1LMNAMAPTCYP2C9 | |
| SCHEMBL6892100 | 0.70 | CYP2C9 (0.37) | ALDH1A1LMNAMAPTCYP2C9CAMKK1 | |
| SCHEMBL6892105 | 0.70 | CYP2C9 (0.37) | ALDH1A1LMNAMAPTCYP2C9CAMKK1 | |
| SCHEMBL10897740 | 0.70 | MAPT (0.43) | ALDH1A1LMNAMAPTCYP2C9 |
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-0358741-B1 | DERIVATIVES OF 2,3-DIFLUOROBENZOIC ACID | MERCK PATENT GmbH (DE) | 1993-02-10 | — | — | EP | disclosed |