Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CALM1 | P0DP23 | 2/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.50 |
| ▸ | TSHR | P16473 | 3/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.46 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.46 |
| ▸ | CHKA | P35790 | 2/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | NOS1 | P29475 | 2/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | CNR1 | P21554 | 1/20 | 0.43 |
| ▸ | APP | P05067 | 1/20 | 0.42 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL10534118 | 0.83 | ALDH1A1 (0.58) | CALM1ALDH1A1TSHRMAPK1CYP3A4 | |
| SCHEMBL4405018 | 0.82 | ALDH1A1 (0.70) | CALM1ALDH1A1TSHRMAPK1CYP3A4 | |
| SCHEMBL169805 | 0.82 | ALDH1A1 (0.47) | ALDH1A1TSHRHDAC1HDAC6ALOX15 | |
| SCHEMBL5536959 | 0.80 | ALDH1A1 (0.45) | ALDH1A1TSHRMAPK1CYP3A4TDP1 | |
| SCHEMBL6011704 | 0.80 | ALDH1A1 (0.45) | ALDH1A1TSHRMAPK1CYP3A4TDP1 | |
| SCHEMBL6011706 | 0.80 | ALDH1A1 (0.45) | ALDH1A1TSHRHDAC1HDAC6ALOX15 | |
| SCHEMBL6827042 | 0.80 | TAAR1 (0.57) | ALDH1A1TSHRNOS1CNR1SMN1; SMN2 | |
| SCHEMBL834162 | 0.80 | ALDH1A1 (0.50) | ALDH1A1TSHRTDP1HDAC1HDAC6 | |
| SCHEMBL31318817 | 0.80 | TAAR1 (0.57) | ALDH1A1TSHRNOS1CNR1SMN1; SMN2 | |
| SCHEMBL11861528 | 0.79 | HDAC1 (0.60) | ALDH1A1TSHRMAPK1CYP3A4TDP1 |
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-6699887-B2 | ADMINISTERING A THERAPEUTICALLY EFFECTIVE AMOUNT OF A PYRRAZOLE SULFIDE OR ETHER COMPOUND TO TREAT THE HUMAN IMMUNODEFICIENCY VIRUS INFECTION | HOFFMANN-LA ROCHE INC. | 2004-03-02 | — | — | US | disclosed |
| US-20030018197-A1 | Anti-HIV pyrazole derivatives | HOFFMANN-LA ROCHE INC. | 2003-01-23 | — | — | 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-20030018197-A1 | Anti-HIV pyrazole derivatives | CYP51A1, TYMP, POLRMT | CALM1 3856/4885ALDH1A1 676/4885TSHR 4729/4885 |
“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.