Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | IKBKB | O14920 | 1/20 | 0.39 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 5/20 | 0.38 |
| ▸ | NPC1 | O15118 | 3/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 3/20 | 0.36 |
| ▸ | CCR1 | P32246 | 2/20 | 0.36 |
| ▸ | CCR5 | P51681 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.34 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 2/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.32 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL19267554 | 0.72 | ALDH1A1 (0.53) | ALDH1A1KDM4ESMN1; SMN2IKBKBLIMK1 | |
| SCHEMBL17813446 | 0.68 | PDK2 (0.32) | — | |
| SCHEMBL22100017 | 0.65 | MAPT (0.49) | ALDH1A1KDM4ESMN1; SMN2IKBKBLIMK1 | |
| SCHEMBL7919450 | 0.65 | CCR1 (0.46) | MAPTRAB9ACCR1CCR5KMT2A | |
| SCHEMBL22224007 | 0.65 | KDM4E (0.33) | ALDH1A1KDM4EMAPTHSD17B10KMT2A | |
| SCHEMBL24121943 | 0.65 | KMT2A (0.41) | ALDH1A1KDM4ESMN1; SMN2IKBKBLIMK1 | |
| SCHEMBL7926335 | 0.65 | ALDH1A1 (0.40) | ALDH1A1KDM4ESMN1; SMN2IKBKBLIMK1 | |
| SCHEMBL14970089 | 0.64 | CHRM4 (0.45) | ALDH1A1KDM4ESMN1; SMN2IKBKBLIMK1 | |
| SCHEMBL24122030 | 0.64 | CHRM4 (0.31) | CCR1CCR5CCR8 | |
| SCHEMBL12329 | 0.64 | MAPT (0.56) | ALDH1A1KDM4ESMN1; SMN2MAPTHSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021254493-A1 | CYCLIC COMPOUND HAVING ANTI-TUMOR ACTIVITY AND USE THEREOF | 上海翊石医药科技有限公司 | 2021-12-23 | — | — | WO | disclosed |
| US-8501804-B2 | Bicyclic compound | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2013-08-06 | — | — | US | disclosed |
| US-8501804-B2 | Bicyclic compound | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2013-08-06 | — | — | US | disclosed |
| US-20120010247-A1 | BICYCLIC COMPOUND | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2012-01-12 | — | — | US | disclosed |
| US-20120010247-A1 | BICYCLIC COMPOUND | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2012-01-12 | — | — | US | disclosed |
| EP-2351743-A1 | BICYCLIC COMPOUND | Takeda Pharmaceutical Company Limited (JP) | 2011-08-03 | — | — | EP | disclosed |
| WO-2010050445-A1 | BICYCLIC COMPOUND | 武田薬品工業株式会社 (JP) | 2010-05-06 | — | — | 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 (1 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-20120010247-A1 | BICYCLIC COMPOUND | ACACA, CPT1B, ACACB | ALDH1A1 762/4885KDM4E 1415/4885SMN1; SMN2 787/4885 |
“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.