Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B1 | P15538 | 1/20 | 0.43 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.43 |
| ▸ | TACR1 | P25103 | 2/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.43 |
| ▸ | IDO1 | P14902 | 2/20 | 0.43 |
| ▸ | AGXT | P21549 | 2/20 | 0.43 |
| ▸ | MAOB | P27338 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.39 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL23326629 | 0.82 | IDO1 (0.50) | IDO1AGXTMAOBCA1CA2 | |
| SCHEMBL189829 | 0.81 | MAOB (0.53) | MAOBNPC1RAB9ATDP1APP | |
| SCHEMBL14909635 | 0.80 | TACR1 (0.56) | TACR1SLC6A4KCNH2IDO1AGXT | |
| SCHEMBL1310325 | 0.79 | KMT2A (0.58) | IDO1AGXTMAOBCA1CA2 | |
| SCHEMBL4444660 | 0.79 | HDAC4 (0.43) | CYP11B1CYP11B2IDO1AGXTCA1 | |
| SCHEMBL12526332 | 0.78 | MAOB (0.62) | IDO1AGXTMAOBL3MBTL1MEN1 | |
| SCHEMBL34413 | 0.77 | IDO1 (0.67) | IDO1AGXTMAOBCA1CA2 | |
| SCHEMBL10311190 | 0.77 | TACR1 (0.44) | CYP11B1CYP11B2TACR1SLC6A4KCNH2 | |
| SCHEMBL3599665 | 0.77 | CYP1A2 (0.51) | CYP11B1CYP11B2MAOBMEN1NPC1 | |
| SCHEMBL3753652 | 0.76 | TACR1 (0.46) | TACR1SLC6A4KCNH2L3MBTL1MAPT |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7795249-B2 | Certain pyrazoline derivatives with kinase inhibitory activity | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2010-09-14 | — | — | US | disclosed |
| US-7795249-B2 | Certain pyrazoline derivatives with kinase inhibitory activity | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2010-09-14 | — | — | US | disclosed |
| US-7795249-B2 | Certain pyrazoline derivatives with kinase inhibitory activity | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2010-09-14 | — | — | US | disclosed |
| EP-2125778-A1 | CERTAIN PYRAZOLINE DERIVATIVES WITH KINASE INHIBITORY ACTIVITY | Millennium Pharmaceuticals, Inc. (US) | 2009-12-02 | — | — | EP | disclosed |
| US-20080171754-A1 | Certain pyrazoline derivatives with kinase inhibitory activity | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2008-07-17 | — | — | US | disclosed |
| US-20080171754-A1 | Certain pyrazoline derivatives with kinase inhibitory activity | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2008-07-17 | — | — | US | disclosed |
| US-20080171754-A1 | Certain pyrazoline derivatives with kinase inhibitory activity | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2008-07-17 | — | — | US | disclosed |
| WO-2008079277-A1 | CERTAIN PYRAZOLINE DERIVATIVES WITH KINASE INHIBITORY ACTIVITY | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2008-07-03 | — | — | WO | 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-20080171754-A1 | Certain pyrazoline derivatives with kinase inhibitory activity | MAP3K5, MAP4K5, MAP3K20 | CYP11B1 1250/4885CYP11B2 1098/4885TACR1 4541/4885 |
“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.