Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSD | P07339 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL27336574 | 0.85 | TDP1 (0.44) | TSHRMEN1KMT2AALDH1A1POLB | |
| SCHEMBL27577704 | 0.84 | ALDH1A1 (0.45) | TSHRMEN1KMT2AALDH1A1GAA | |
| SCHEMBL27447186 | 0.77 | CYP1A2 (0.43) | CTSDCYP1A2TSHRMEN1KMT2A | |
| SCHEMBL6226801 | 0.76 | GPR35 (0.42) | CYP1A2TSHRALDH1A1 | |
| SCHEMBL202173 | 0.74 | TDP1 (0.50) | TSHRMEN1KMT2AALDH1A1SMN1; SMN2 | |
| Hydrogen Peroxide SCHEMBL28789392 | 0.72 | GPR35 (0.64) | CYP1A2TSHRMEN1KMT2AMAPT | |
| SCHEMBL3815442 | 0.72 | ADRA2C (0.45) | TSHRMEN1KMT2AALDH1A1SMN1; SMN2 | |
| SCHEMBL3134710 | 0.72 | ALDH1A1 (0.57) | CTSDCYP1A2TSHRMEN1KMT2A | |
| Fluoroacetate SCHEMBL28291519 | 0.71 | TSHR (0.53) | CTSDCYP1A2TSHRMEN1KMT2A | |
| SCHEMBL10864271 | 0.71 | ALDH1A1 (0.50) | CTSDCYP1A2TSHRMEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| CN-1052231-C | Adhesion receptor antagonists | MERCK PATENT GMBH (DE) | 2000-05-10 | — | — | CN | disclosed |
| CN-1097421-A | Adhesion receptor antagonists | MERCK PATENT GMBH (DE) | 1995-01-18 | — | — | CN | disclosed |