Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.55 |
| ▸ | TP53 | P04637 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | SRD5A2 | P31213 | 4/20 | 0.48 |
| ▸ | ANPEP | P15144 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 3/20 | 0.46 |
| ▸ | CA2 | P00918 | 3/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA3 | P07451 | 1/20 | 0.46 |
| ▸ | TYR | P14679 | 1/20 | 0.46 |
| ▸ | DRD1 | P21728 | 1/20 | 0.46 |
| ▸ | CA4 | P22748 | 1/20 | 0.46 |
| ▸ | CA6 | P23280 | 1/20 | 0.46 |
| ▸ | CA5A | P35218 | 1/20 | 0.46 |
| ▸ | CA7 | P43166 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.46 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL7680641 | 0.91 | TSHR (0.50) | TSHRTP53ALDH1A1SMN1; SMN2SRD5A2 | |
| SCHEMBL1753679 | 0.90 | TSHR (0.48) | TSHRTP53ALDH1A1SMN1; SMN2SRD5A2 | |
| SCHEMBL11458883 | 0.85 | BRD4 (0.44) | TSHRALDH1A1HPGD | |
| SCHEMBL10936588 | 0.80 | TSHR (0.52) | TSHRTP53ALDH1A1SMN1; SMN2SRD5A2 | |
| SCHEMBL5374859 | 0.80 | ANPEP (0.55) | TSHRTP53ALDH1A1SMN1; SMN2SRD5A2 | |
| SCHEMBL1312762 | 0.78 | SRC (0.64) | ALDH1A1KMT2AHPGDALOX15TDP1 | |
| Terephthalic Acid SCHEMBL123278 | 0.77 | TSHR (0.80) | TSHRTP53ALDH1A1SMN1; SMN2SRD5A2 | |
| Terephthalic Acid SCHEMBL8209798 | 0.77 | TSHR (0.80) | TSHRTP53ALDH1A1SMN1; SMN2SRD5A2 | |
| Terephthalic Acid SCHEMBL28358071 | 0.77 | TSHR (0.80) | TSHRTP53ALDH1A1SMN1; SMN2SRD5A2 | |
| SCHEMBL11012611 | 0.76 | SRC (0.61) | ALDH1A1KMT2AHPGDALOX15TDP1 |
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-8158825-B2 | Modified malonate derivatives | MERCK SHARP & DOHME CORP. (US) | 2012-04-17 | — | — | US | disclosed |
| US-20100160327-A1 | Modified Malonate Derivatives | MERCK SHARP & DOHME LLC | 2010-06-24 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20100160327-A1 | Modified Malonate Derivatives | ME2, ME3, ME1 | TSHR 1838/4885TP53 1553/4885ALDH1A1 784/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.