Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 2/20 | 0.51 |
| ▸ | MAOB | P27338 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | MAOA | P21397 | 2/20 | 0.44 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.41 |
| ▸ | NSD2 | O96028 | 1/20 | 0.41 |
| ▸ | NSD3 | Q9BZ95 | 1/20 | 0.41 |
| ▸ | AR | P10275 | 4/20 | 0.38 |
| ▸ | KMO | O15229 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | KDR | P35968 | 1/20 | 0.36 |
| ▸ | DRD1 | P21728 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL10352809 | 0.94 | CYP19A1 (0.54) | CYP19A1MAOBALDH1A1HPGDNPSR1 | |
| SCHEMBL10352210 | 0.82 | ALDH1A1 (0.56) | CYP19A1MAOBALDH1A1HPGDNPSR1 | |
| SCHEMBL29390509 | 0.80 | CYP19A1 (0.65) | CYP19A1MAOBALDH1A1HPGDNPSR1 | |
| SCHEMBL4581525 | 0.80 | CYP19A1 (0.65) | CYP19A1MAOBALDH1A1HPGDNPSR1 | |
| SCHEMBL10353035 | 0.79 | CYP19A1 (0.56) | CYP19A1MAOBALDH1A1HPGDNPSR1 | |
| SCHEMBL1377229 | 0.78 | CYP19A1 (0.62) | CYP19A1MAOBALDH1A1HPGDNPSR1 | |
| SCHEMBL9472016 | 0.78 | CYP19A1 (0.62) | CYP19A1MAOBALDH1A1HPGDNPSR1 | |
| SCHEMBL10352213 | 0.78 | CYP19A1 (0.58) | CYP19A1MAOBALDH1A1HPGDNPSR1 | |
| SCHEMBL18170274 | 0.77 | CYP19A1 (0.61) | CYP19A1MAOBALDH1A1HPGDNPSR1 | |
| SCHEMBL21610164 | 0.76 | KDR (0.36) | CYP19A1MAOBMAOAARSMN1; SMN2 |
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-8362239-B2 | Heteroaromatic phthalonitriles | THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) | 2013-01-29 | — | — | US | disclosed |
| US-8362239-B2 | Heteroaromatic phthalonitriles | THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) | 2013-01-29 | — | — | US | disclosed |
| US-20120232270-A1 | HETEROAROMATIC PHTHALONITRILES | THE GOVERNMENT OF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) | 2012-09-13 | — | — | US | disclosed |
| US-20120232270-A1 | HETEROAROMATIC PHTHALONITRILES | THE GOVERNMENT OF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) | 2012-09-13 | — | — | US | disclosed |
| US-8222403-B2 | Heteroaromatic phthalonitriles | THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) | 2012-07-17 | — | — | US | disclosed |
| US-8222403-B2 | Heteroaromatic phthalonitriles | THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) | 2012-07-17 | — | — | US | disclosed |
| US-20110108755-A1 | HETEROAROMATIC PHTHALONITRILES | THE GOVERNMENT OF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) | 2011-05-12 | — | — | US | disclosed |
| US-20110108755-A1 | HETEROAROMATIC PHTHALONITRILES | THE GOVERNMENT OF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) | 2011-05-12 | — | — | 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-20120232270-A1 | HETEROAROMATIC PHTHALONITRILES | ARNT, PBRM1, NR4A1 | CYP19A1 1685/4885MAOB 4053/4885ALDH1A1 1493/4885 |
| US-20110108755-A1 | HETEROAROMATIC PHTHALONITRILES | ARNT, PBRM1, NR4A1 | CYP19A1 1685/4885MAOB 4053/4885ALDH1A1 1493/4885 |
“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.