Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 7/20 | 0.66 |
| ▸ | AKR1C3 | P42330 | 3/20 | 0.62 |
| ▸ | AKR1C2 | P52895 | 3/20 | 0.62 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.62 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.62 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.62 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.62 |
| ▸ | RAB9A | P51151 | 8/20 | 0.58 |
| ▸ | NPC1 | O15118 | 7/20 | 0.58 |
| ▸ | MAPT | P10636 | 5/20 | 0.58 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.56 |
| ▸ | MEN1 | O00255 | 5/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.53 |
| ▸ | HPGD | P15428 | 1/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | POLB | P06746 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL3496332 | 1.00 | SMN1; SMN2 (0.66) | SMN1; SMN2AKR1C3AKR1C2AKR1B10AKR1B1 | |
| SCHEMBL1511316 | 0.88 | SMN1; SMN2 (0.66) | SMN1; SMN2AKR1C3AKR1C2AKR1B10AKR1B1 | |
| SCHEMBL978809 | 0.88 | RAB9A (0.73) | SMN1; SMN2AKR1C3AKR1C2RAB9ANPC1 | |
| SCHEMBL978808 | 0.88 | RAB9A (0.73) | SMN1; SMN2AKR1C3AKR1C2RAB9ANPC1 | |
| SCHEMBL9364712 | 0.83 | SMN1; SMN2 (0.67) | SMN1; SMN2AKR1C3AKR1C2AKR1B10AKR1B1 | |
| SCHEMBL9364718 | 0.83 | SMN1; SMN2 (0.67) | SMN1; SMN2AKR1C3AKR1C2AKR1B10AKR1B1 | |
| Oxalic Acid SCHEMBL20984441 | 0.82 | AKR1C3 (0.60) | SMN1; SMN2AKR1C3AKR1C2AKR1B10AKR1B1 | |
| SCHEMBL1130860 | 0.82 | SMN1; SMN2 (0.66) | SMN1; SMN2AKR1C3AKR1C2AKR1B10AKR1B1 | |
| SCHEMBL4305240 | 0.81 | SMN1; SMN2 (0.58) | SMN1; SMN2AKR1C3AKR1C2AKR1B10AKR1B1 | |
| SCHEMBL19020079 | 0.81 | MAPT (0.59) | SMN1; SMN2AKR1C3AKR1C2AKR1B10AKR1B1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9221836-B2 | Heterocyclic compound and use thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2015-12-29 | — | — | US | disclosed |
| US-20150191486-A1 | HETEROCYCLIC COMPOUND AND USE THEREOF | TAKEDA PHARMACEUTICAL (JP) | 2015-07-09 | — | — | US | disclosed |
| US-9045436-B2 | Heterocyclic compound and use thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2015-06-02 | — | — | US | disclosed |
| US-8664380-B2 | Heterocyclic compound and use thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2014-03-04 | — | — | US | disclosed |
| US-8466282-B2 | Heterocyclic compound and use thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2013-06-18 | — | — | US | disclosed |
| US-20120264733-A1 | HETEROCYCLIC COMPOUND AND USE THEREOF | SCOHIA PHARMA, INC. (JP) | 2012-10-18 | — | — | US | disclosed |
| US-20100137587-A1 | Heterocyclic compound and use thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED | 2010-06-03 | — | — | 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 (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-20120264733-A1 | HETEROCYCLIC COMPOUND AND USE THEREOF | REN, AGT, ACE | SMN1; SMN2 4625/4885AKR1C3 181/4885AKR1C2 232/4885 |
| US-20150191486-A1 | HETEROCYCLIC COMPOUND AND USE THEREOF | REN, AGT, ACE | SMN1; SMN2 4625/4885AKR1C3 181/4885AKR1C2 232/4885 |
| US-20100137587-A1 | Heterocyclic compound and use thereof | REN, AGT, ACE | SMN1; SMN2 4625/4885AKR1C3 181/4885AKR1C2 232/4885 |
“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.