Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | HSD17B1 | P14061 | 6/20 | 0.42 |
| ▸ | HSD17B2 | P37059 | 6/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.39 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.38 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.38 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | MAP3K8 | P41279 | 1/20 | 0.36 |
| ▸ | CNR1 | P21554 | 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 | |
|---|---|---|---|---|
| SCHEMBL6812091 | 0.86 | MAPT (0.40) | ALDH1A1MAPK1HSD17B1HSD17B2MEN1 | |
| SCHEMBL28848007 | 0.82 | ESR1 (0.43) | ALDH1A1HSD17B1HSD17B2MEN1KMT2A | |
| SCHEMBL17066346 | 0.81 | HSD17B1 (0.47) | ALDH1A1HSD17B1HSD17B2MEN1KMT2A | |
| SCHEMBL1198680 | 0.80 | HDAC6 (0.44) | ALDH1A1MEN1KMT2ANPSR1HPGD | |
| SCHEMBL27811389 | 0.79 | NPC1 (0.42) | ALDH1A1MAPK1MEN1KMT2ASMN1; SMN2 | |
| SCHEMBL19741486 | 0.76 | HSD17B1 (0.56) | ALDH1A1HSD17B1HSD17B2MEN1KMT2A | |
| SCHEMBL28530288 | 0.76 | SNCA (0.50) | ALDH1A1MAPK1HSD17B1HSD17B2MEN1 | |
| SCHEMBL9034233 | 0.76 | GSK3B (0.45) | TSHRLMNARAB9ANPC1HDAC4 | |
| SCHEMBL27797494 | 0.76 | IKBKB (0.40) | ALDH1A1HSD17B1HSD17B2MEN1KMT2A | |
| SCHEMBL17376763 | 0.75 | CYP2A6 (0.47) | ALDH1A1HPGDSMN1; SMN2LMNAHTT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8461348-B2 | Heterocyclic derivative and use thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2013-06-11 | — | — | US | disclosed |
| US-20110028493-A1 | HETEROCYCLIC DERIVATIVE AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2011-02-03 | — | — | 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 (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-20110028493-A1 | HETEROCYCLIC DERIVATIVE AND USE THEREOF | PDE3B, PDE5A, PDE2A | ALDH1A1 1037/4885MAPK1 255/4885HSD17B1 248/4885 |
“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.