Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK9 | P50750 | 1/20 | 0.46 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.46 |
| ▸ | DYRK2 | Q92630 | 1/20 | 0.46 |
| ▸ | ALDH2 | P05091 | 5/20 | 0.46 |
| ▸ | ALDH1A2 | O94788 | 4/20 | 0.46 |
| ▸ | ALDH1B1 | P30837 | 4/20 | 0.46 |
| ▸ | ALDH1A3 | P47895 | 3/20 | 0.46 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.42 |
| ▸ | NOS3 | P29474 | 1/20 | 0.41 |
| ▸ | NOS1 | P29475 | 1/20 | 0.41 |
| ▸ | NOS2 | P35228 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | ESR1 | P03372 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | APEX1 | P27695 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL8381589 | 0.82 | CYP2A6 (0.40) | CYP2A6NOS3NOS1NOS2ALDH1A1 | |
| SCHEMBL10858308 | 0.82 | CYP2A6 (0.40) | CYP2A6NOS3NOS1NOS2KMT2A | |
| SCHEMBL6210518 | 0.81 | CDK9 (0.46) | CDK9DYRK1ADYRK2ALDH2ALDH1A2 | |
| SCHEMBL548410 | 0.80 | CYP2A6 (0.50) | CYP2A6NOS3NOS1NOS2KMT2A | |
| SCHEMBL7388132 | 0.78 | KCNH2 (0.40) | CYP2A6NOS3NOS1NOS2KMT2A | |
| SCHEMBL718720 | 0.78 | NOS3 (0.40) | CYP2A6NOS3NOS1NOS2KMT2A | |
| SCHEMBL7383110 | 0.78 | KCNH2 (0.38) | CYP2A6NOS3NOS1NOS2KMT2A | |
| SCHEMBL16906004 | 0.78 | ALDH1A1 (0.48) | CYP2A6NOS3NOS1NOS2KMT2A | |
| SCHEMBL718543 | 0.77 | MCL1 (0.61) | KMT2AALDH1A1KCNH2SMN1; SMN2 | |
| SCHEMBL719418 | 0.75 | KCNH2 (0.52) | KMT2AALDH1A1KCNH2RAB9AMAPT |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8835441-B2 | Heterobicyclic metalloprotease inhibitors | AMGEN INC. (US) | 2014-09-16 | — | — | US | disclosed |
| US-20120015920-A1 | HETEROBICYCLIC METALLOPROTEASE INHIBITORS | ALANTOS PHARMACEUTICALS HOLDING, INC. (US) | 2012-01-19 | — | — | US | disclosed |
| US-20120015920-A1 | HETEROBICYCLIC METALLOPROTEASE INHIBITORS | ALANTOS PHARMACEUTICALS HOLDING, INC. (US) | 2012-01-19 | — | — | US | disclosed |
| US-7795245-B2 | Heterobicyclic metalloprotease inhibitors | Atlantos Pharmaceuticals Holding, Inc. (US) | 2010-09-14 | — | — | US | disclosed |
| US-7795245-B2 | Heterobicyclic metalloprotease inhibitors | Atlantos Pharmaceuticals Holding, Inc. (US) | 2010-09-14 | — | — | US | disclosed |
| US-20090312312-A1 | Heterobicyclic Metalloprotease Inhibitors | ALANTOS PHARMACEUTICALS HOLDING, INC. (US) | 2009-12-17 | — | — | US | disclosed |
| US-20090312312-A1 | Heterobicyclic Metalloprotease Inhibitors | ALANTOS PHARMACEUTICALS HOLDING, INC. (US) | 2009-12-17 | — | — | US | disclosed |
| US-20090137547-A1 | Heterobicyclic metalloprotease inhibitors | ALANTOS PHARMACEUTICALS HOLDING, INC. | 2009-05-28 | — | — | US | disclosed |
| US-20090137547-A1 | Heterobicyclic metalloprotease inhibitors | ALANTOS PHARMACEUTICALS HOLDING, INC. | 2009-05-28 | — | — | US | disclosed |
| US-20070155738-A1 | Heterobicyclic metalloprotease inhibitors | ALANTOS PHARMACEUTICALS, INC. | 2007-07-05 | — | — | US | disclosed |
| US-20070155738-A1 | Heterobicyclic metalloprotease inhibitors | ALANTOS PHARMACEUTICALS, INC. | 2007-07-05 | — | — | 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 (4 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-20090312312-A1 | Heterobicyclic Metalloprotease Inhibitors | MMP13, TIMP3, MMP3 | CDK9 531/4885DYRK1A 3718/4885DYRK2 3183/4885 |
| US-20120015920-A1 | HETEROBICYCLIC METALLOPROTEASE INHIBITORS | MMP13, TIMP3, MMP3 | CDK9 531/4885DYRK1A 3718/4885DYRK2 3183/4885 |
| US-20090137547-A1 | Heterobicyclic metalloprotease inhibitors | MMP13, TIMP3, MMP3 | CDK9 531/4885DYRK1A 3718/4885DYRK2 3183/4885 |
| US-20070155738-A1 | Heterobicyclic metalloprotease inhibitors | MMP13, TIMP3, MMP3 | CDK9 531/4885DYRK1A 3718/4885DYRK2 3183/4885 |
“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.