Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.37 |
| ▸ | RAB9A | P51151 | 4/20 | 0.37 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | NPC1 | O15118 | 3/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | F2RL3 | Q96RI0 | 1/20 | 0.31 |
| ▸ | DHFR | P00374 | 1/20 | 0.30 |
| ▸ | TYMS | P04818 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL20666434 | 0.79 | ALDH1A1 (0.36) | ALDH1A1SMN1; SMN2RAB9ANPC1HPGD | |
| SCHEMBL10272524 | 0.78 | HSD17B10 (0.43) | ALDH1A1SMN1; SMN2RAB9AMAPTNPC1 | |
| SCHEMBL8334374 | 0.78 | ALDH1A1 (0.61) | ALDH1A1SMN1; SMN2RAB9AMAPTNPC1 | |
| SCHEMBL8330380 | 0.75 | ALDH1A1 (0.41) | ALDH1A1SMN1; SMN2RAB9AMAPTNPC1 | |
| SCHEMBL30626905 | 0.75 | ALDH1A1 (0.49) | ALDH1A1SMN1; SMN2RAB9AMAPTNPC1 | |
| SCHEMBL24603481 | 0.75 | ALDH1A1 (0.49) | ALDH1A1SMN1; SMN2RAB9AMAPTNPC1 | |
| SCHEMBL21098344 | 0.75 | ALDH1A1 (0.41) | ALDH1A1SMN1; SMN2RAB9AMAPTNPC1 | |
| SCHEMBL20049459 | 0.74 | CHRNB2 (0.35) | ALDH1A1SMN1; SMN2RAB9AMAPTNPC1 | |
| SCHEMBL20667373 | 0.72 | ALDH1A1 (0.39) | ALDH1A1SMN1; SMN2RAB9AMAPTNPC1 | |
| SCHEMBL30626907 | 0.71 | ALDH1A1 (0.41) | ALDH1A1SMN1; SMN2RAB9AMAPTNPC1 |
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-20220119367-A1 | HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS | INTEGRAL BIOSCIENCES PVT. LTD. (IN) | 2022-04-21 | — | — | US | disclosed |
| US-20200231570-A1 | HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS | SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) | 2020-07-23 | — | — | 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-20200231570-A1 | HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS | ADORA2A, ADORA3, ADORA1 | ALDH1A1 2100/4885SMN1; SMN2 4476/4885RAB9A 2816/4885 |
| US-20220119367-A1 | HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS | ADORA2A, ADORA3, ADORA1 | ALDH1A1 2100/4885SMN1; SMN2 4476/4885RAB9A 2816/4885 |
“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.