Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NISCH | Q9Y2I1 | 12/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.49 |
| ▸ | HTR1D | P28221 | 2/20 | 0.42 |
| ▸ | HTR1B | P28222 | 2/20 | 0.42 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.40 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.40 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.40 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.40 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.40 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.40 |
| ▸ | MAOA | P21397 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | PMP22 | Q01453 | 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 | |
|---|---|---|---|---|
| SCHEMBL30382864 | 0.78 | NISCH (0.56) | NISCHCYP1A2KDM4EADRA1DADRA1A | |
| SCHEMBL14286968 | 0.78 | NISCH (0.56) | NISCHCYP1A2KDM4EADRA1DADRA1A | |
| SCHEMBL11399098 | 0.76 | CCR1 (0.48) | KDM4EALDH1A1CYP3A4ALOX15LMNA | |
| SCHEMBL14266623 | 0.75 | CCR1 (0.61) | NISCHCYP1A2KDM4EHTR1BMAOA | |
| SCHEMBL30382367 | 0.75 | CCR1 (0.61) | NISCHCYP1A2KDM4EHTR1BMAOA | |
| SCHEMBL30373695 | 0.75 | NISCH (0.56) | NISCHCYP1A2KDM4EALDH1A1CYP3A4 | |
| SCHEMBL545936 | 0.75 | NISCH (0.56) | NISCHCYP1A2KDM4EALDH1A1CYP3A4 | |
| SCHEMBL24714756 | 0.74 | MAOA (0.49) | NISCHCYP1A2KDM4EHTR1DADRA1A | |
| SCHEMBL17084449 | 0.74 | NISCH (0.66) | NISCHMAOB | |
| Hydrochloric Acid SCHEMBL28484655 | 0.74 | KDM4E (0.59) | NISCHCYP1A2KDM4EHTR1BMAOA |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8110687-B2 | Bicyclic compounds with kinase inhibitory activity | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2012-02-07 | — | — | US | disclosed |
| US-8110687-B2 | Bicyclic compounds with kinase inhibitory activity | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2012-02-07 | — | — | US | disclosed |
| US-20080064729-A1 | Phenethylamide derivatives with kinase inhibitory activity | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2008-03-13 | — | — | US | disclosed |
| US-20070149533-A1 | Bicyclic compounds with kinase inhibitory activity | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2007-06-28 | — | — | US | disclosed |
| US-20070149533-A1 | Bicyclic compounds with kinase inhibitory activity | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2007-06-28 | — | — | 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-20080064729-A1 | Phenethylamide derivatives with kinase inhibitory activity | MAP4K5, MAP3K5, MAP4K2 | NISCH 3203/4885CYP1A2 2861/4885KDM4E 99/4885 |
| US-20070149533-A1 | Bicyclic compounds with kinase inhibitory activity | MAP3K20, MAP3K1, MAP3K5 | NISCH 3122/4885CYP1A2 3219/4885KDM4E 1104/4885 |
“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.