Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 1/20 | 0.33 |
| ▸ | GRK2 | P25098 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 3/20 | 0.32 |
| ▸ | NPC1 | O15118 | 3/20 | 0.32 |
| ▸ | TSHR | P16473 | 3/20 | 0.32 |
| ▸ | RAB9A | P51151 | 3/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.32 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.32 |
| ▸ | RELA | Q04206 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | MIF | P14174 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL5244657 | 0.85 | FLT1 (0.37) | TSHRALDH1A1HSD17B10CYP1A2POLB | |
| SCHEMBL5642079 | 0.83 | PTGDR2 (0.32) | ROCK2GRK2MAPTNPC1TSHR | |
| SCHEMBL5642784 | 0.82 | SMN1; SMN2 (0.39) | MAPTNPC1TSHRRAB9ASMN1; SMN2 | |
| SCHEMBL5239960 | 0.81 | GRM5 (0.34) | — | |
| SCHEMBL5244497 | 0.80 | CYP1A2 (0.36) | CYP1A2POLBCYP2C19 | |
| SCHEMBL5641792 | 0.80 | FLT1 (0.33) | — | |
| SCHEMBL5244065 | 0.79 | POLB (0.35) | SMN1; SMN2CYP1A2POLBCYP2C19 | |
| SCHEMBL5641725 | 0.79 | P2RX7 (0.32) | — | |
| SCHEMBL5645787 | 0.78 | P2RX7 (0.35) | TSHRALDH1A1POLB | |
| SCHEMBL5643542 | 0.78 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7183296-B2 | Anti-HIV pyrazole derivatives | ROCHE PALO ALTO LLC (US) | 2007-02-27 | — | — | US | claimed |
| US-20040192752-A1 | Anti-HIV pyrazole derivatives | DYMOCK BRIAN WILLIAM (GB) | 2004-09-30 | — | — | US | claimed |
| EP-1326843-A1 | PYRAZOLE DERIVATIVES FOR THE TREATMENT OF VIRAL DISEASES | F. Hoffmann-La Roche AG (CH) | 2003-07-16 | — | — | EP | claimed |
| US-20030018197-A1 | Anti-HIV pyrazole derivatives | HOFFMANN-LA ROCHE INC. | 2003-01-23 | — | — | US | claimed |
| WO-2002030907-A1 | PYRAZOLE DERIVATIVES FOR THE TREATMENT OF VIRAL DISEASES | F. HOFFMANN-LA ROCHE AG (CH) | 2002-04-18 | — | — | WO | claimed |
| US-7183296-B2 | Anti-HIV pyrazole derivatives | ROCHE PALO ALTO LLC (US) | 2007-02-27 | — | — | US | disclosed |
| US-7183296-B2 | Anti-HIV pyrazole derivatives | ROCHE PALO ALTO LLC (US) | 2007-02-27 | — | — | US | disclosed |
| US-7183296-B2 | Anti-HIV pyrazole derivatives | ROCHE PALO ALTO LLC (US) | 2007-02-27 | — | — | US | disclosed |
| 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 |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (2 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-20040192752-A1 | Anti-HIV pyrazole derivatives | CYP51A1, TYMP, POLRMT | ROCK2 3079/4885GRK2 3305/4885MAPT 2148/4885 |
| US-20030018197-A1 | Anti-HIV pyrazole derivatives | CYP51A1, TYMP, POLRMT | ROCK2 3079/4885GRK2 3305/4885MAPT 2148/4885 |
“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.