Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | PIK3CD | O00329 | 8/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | PIK3R1 | P27986 | 5/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | DRD1 | P21728 | 1/20 | 0.33 |
| ▸ | DRD5 | P21918 | 1/20 | 0.33 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | NPBWR1 | P48145 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL17718380 | 0.89 | SMN1; SMN2 (0.46) | SMN1; SMN2CYP1A2CYP2C9NPSR1RAB9A | |
| SCHEMBL17718376 | 0.85 | SMN1; SMN2 (0.43) | SMN1; SMN2CYP1A2CYP2C9NPSR1RAB9A | |
| SCHEMBL17718373 | 0.79 | SMN1; SMN2 (0.57) | SMN1; SMN2CYP1A2CYP2C9RAB9ALMNA | |
| SCHEMBL17718365 | 0.78 | SMN1; SMN2 (0.47) | SMN1; SMN2CYP1A2CYP2C9NPSR1RAB9A | |
| SCHEMBL938243 | 0.75 | PIK3CD (0.61) | SMN1; SMN2CYP1A2CYP2C9NPSR1PIK3CD | |
| SCHEMBL22854757 | 0.72 | PIK3CB (0.48) | SMN1; SMN2CYP1A2CYP2C9NPSR1PIK3CD | |
| SCHEMBL22854483 | 0.72 | ALDH1A1 (0.53) | SMN1; SMN2RAB9ALMNAALDH1A1NPC1 | |
| SCHEMBL22854703 | 0.71 | PIK3CG (0.55) | PIK3CDPIK3R1 | |
| SCHEMBL22854676 | 0.71 | PIK3CD (0.61) | PIK3CDPIK3R1 | |
| SCHEMBL19786037 | 0.71 | CYP1A2 (0.36) | SMN1; SMN2CYP1A2CYP2C9NPSR1PIK3CD |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170369511-A1 | HETEROCYCLIC COMPOUNDS AND USES THEREOF | TWELVE THERAPEUTICS, INC. | 2017-12-28 | — | — | US | disclosed |
| US-9708348-B2 | Trisubstituted bicyclic heterocyclic compounds with kinase activities and uses thereof | INFINITY PHARMACEUTICALS, INC. (US) | 2017-07-18 | — | — | US | disclosed |
| US-20160122365-A1 | HETEROCYCLIC COMPOUNDS AND USES THEREOF | TWELVE THERAPEUTICS, INC. | 2016-05-05 | — | — | 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 (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-20170369511-A1 | HETEROCYCLIC COMPOUNDS AND USES THEREOF | PIK3CA, PIK3CD, PIK3CB | SMN1; SMN2 1464/4885CYP1A2 2099/4885CYP2C9 1799/4885 |
| US-20160122365-A1 | HETEROCYCLIC COMPOUNDS AND USES THEREOF | PIK3CA, PIK3CD, PIK3CB | SMN1; SMN2 1464/4885CYP1A2 2099/4885CYP2C9 1799/4885 |
“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.