Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 6/20 | 0.60 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.60 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.54 |
| ▸ | NPC1 | O15118 | 2/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.54 |
| ▸ | RAB9A | P51151 | 2/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.54 |
| ▸ | LMNA | P02545 | 1/20 | 0.54 |
| ▸ | MAPT | P10636 | 1/20 | 0.54 |
| ▸ | TSHR | P16473 | 1/20 | 0.54 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | CYP19A1 | P11511 | 5/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.45 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.44 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL12473712 | 0.87 | PTGS1 (0.67) | CYP3A4ALDH1A1LMNAMAPTPTGS1 | |
| SCHEMBL1556919 | 0.81 | KMT2A (0.51) | PTGS1KMT2A | |
| SCHEMBL12404397 | 0.78 | PTGS1 (0.69) | ALDH1A1PTGS1KMT2A | |
| SCHEMBL14129958 | 0.77 | CYP2D6 (1.00) | CYP2D6CYP3A4KDM4ENPC1ALDH1A1 | |
| SCHEMBL9619098 | 0.75 | NR5A1 (0.51) | TSHR | |
| SCHEMBL9619193 | 0.75 | NR5A1 (0.51) | TSHR | |
| SCHEMBL6294549 | 0.75 | PTGS1 (0.73) | PTGS1KMT2A | |
| SCHEMBL4556517 | 0.73 | ESR1 (0.46) | — | |
| SCHEMBL31621352 | 0.73 | CYP2D6 (0.89) | CYP2D6CYP3A4KDM4ENPC1ALDH1A1 | |
| SCHEMBL9650447 | 0.73 | CYP2D6 (0.89) | CYP2D6CYP3A4KDM4ENPC1ALDH1A1 |
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-20150344467-A1 | 5- AND 6-MEMBERED HETEROCYCLIC COMPOUNDS | FMR LLC | 2015-12-03 | — | — | US | disclosed |
| US-20140038965-A1 | 5- AND 6-MEMBERED HETEROCYCLIC COMPOUNDS | ENVIVO PHARMACEUTICALS, INC. (US) | 2014-02-06 | — | — | US | disclosed |
| US-8481534-B2 | 5- and 6-membered heterocyclic compounds | ENVIVO PHARMACEUTICALS, INC. (US) | 2013-07-09 | — | — | US | disclosed |
| US-20110183976-A1 | 5- AND 6-MEMBERED HETEROCYCLIC COMPOUNDS | FMR LLC | 2011-07-28 | — | — | US | disclosed |
| WO-2009158473-A1 | 5- AND 6-MEMBERED HETEROCYCLIC COMPOUNDS | ENVIVO PHARMACEUTICALS, INC. (US) | 2009-12-30 | — | — | 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 (3 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-20150344467-A1 | 5- AND 6-MEMBERED HETEROCYCLIC COMPOUNDS | PDE7A, ACHE, PDE5A | CYP2D6 73/4885CYP3A4 144/4885KDM4E 1474/4885 |
| US-20140038965-A1 | 5- AND 6-MEMBERED HETEROCYCLIC COMPOUNDS | PDE7A, ACHE, PDE5A | CYP2D6 73/4885CYP3A4 144/4885KDM4E 1474/4885 |
| US-20110183976-A1 | 5- AND 6-MEMBERED HETEROCYCLIC COMPOUNDS | ACHE, PDE7A, PDE5A | CYP2D6 76/4885CYP3A4 164/4885KDM4E 1472/4885 |
“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.