Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.46 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.37 |
| ▸ | NOS3 | P29474 | 1/20 | 0.37 |
| ▸ | NOS1 | P29475 | 1/20 | 0.37 |
| ▸ | NOS2 | P35228 | 1/20 | 0.37 |
| ▸ | KIF11 | P52732 | 1/20 | 0.36 |
| ▸ | LPL | P06858 | 1/20 | 0.36 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL29661799 | 1.00 | TRPA1 (0.46) | TRPA1CYP2A6CYP1A2SMN1; SMN2LMNA | |
| SCHEMBL8065786 | 0.80 | TRPA1 (0.43) | TRPA1CYP2A6CYP1A2SMN1; SMN2LMNA | |
| SCHEMBL26458348 | 0.80 | TRPA1 (0.43) | TRPA1CYP2A6CYP1A2SMN1; SMN2LMNA | |
| SCHEMBL20932352 | 0.80 | CNR1 (0.48) | NPC1RAB9AMAPTLPLLIPG | |
| SCHEMBL14102324 | 0.80 | S1PR1 (0.46) | TRPA1CYP2A6CYP1A2SMN1; SMN2LMNA | |
| SCHEMBL24467914 | 0.80 | TRPA1 (0.43) | TRPA1CYP2A6CYP1A2SMN1; SMN2LMNA | |
| SCHEMBL6108514 | 0.78 | NOS3 (0.42) | TRPA1CYP2A6CYP1A2SMN1; SMN2LMNA | |
| SCHEMBL12693766 | 0.78 | TRPA1 (0.41) | TRPA1CYP2A6CYP1A2SMN1; SMN2LMNA | |
| SCHEMBL21362383 | 0.78 | TRPA1 (0.41) | TRPA1CYP2A6CYP1A2SMN1; SMN2LMNA | |
| SCHEMBL2951140 | 0.78 | TRPA1 (0.41) | TRPA1CYP2A6CYP1A2SMN1; SMN2LMNA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2019078246-A1 | IDO/TDO INHIBITOR | 一般社団法人ファルマバレープロジェクト支援機構 | 2019-04-25 | — | — | WO | disclosed |
| US-20120028920-A1 | DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZO[B]THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS | OTSUKA PHARMACEUTICAL CO., LTD. | 2012-02-02 | — | — | US | disclosed |
| US-20100316567-A1 | ETHER AND ALKYL PHOSPHOLIPID COMPOUNDS FOR TREATING CANCER AND IMAGING AND DETECTION OF CANCER STEM CELLS | CELL ACQUISITION CORP. | 2010-12-16 | — | — | 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-20100316567-A1 | ETHER AND ALKYL PHOSPHOLIPID COMPOUNDS FOR TREATING CANCER AND IMAGING AND DETECTION OF CANCER STEM CELLS | PHOSPHO1, PEBP1, SGMS1 | TRPA1 1047/4885CYP2A6 1994/4885CYP1A2 2101/4885 |
| US-20120028920-A1 | DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZO[B]THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS | GRIN2C, GRIN2B, PMP22 | TRPA1 322/4885CYP2A6 344/4885CYP1A2 103/4885 |
“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.