Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | NPC1 | O15118 | 3/20 | 0.45 |
| ▸ | RAB9A | P51151 | 3/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | TYR | P14679 | 1/20 | 0.44 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.43 |
| ▸ | ESR1 | P03372 | 1/20 | 0.42 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 2/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | PLK1 | P53350 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | GLA | P06280 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL2387794 | 0.84 | NPC1 (0.57) | ALDH1A1NPC1RAB9ASMN1; SMN2MAPT | |
| SCHEMBL8652676 | 0.84 | LMNA (0.45) | ALDH1A1TSHRNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL4242570 | 0.84 | ALDH1A1 (0.62) | ALDH1A1TSHRNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL7365104 | 0.84 | ESR1 (0.56) | ALDH1A1NPC1RAB9ASMN1; SMN2MAPT | |
| SCHEMBL86418 | 0.82 | KMT2A (0.55) | ALDH1A1NPC1RAB9ASMN1; SMN2MAPT | |
| SCHEMBL4668894 | 0.82 | ALDH1A1 (0.45) | ALDH1A1TSHRNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL1067152 | 0.82 | SIRT2 (0.47) | ALDH1A1TSHRSMN1; SMN2MAPTTAAR1 | |
| SCHEMBL5691929 | 0.82 | ALDH1A1 (0.41) | ALDH1A1TSHRNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL5691933 | 0.82 | LOXL2 (0.47) | ALDH1A1TSHRNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL13777822 | 0.82 | ALDH1A1 (0.41) | ALDH1A1TSHRNPC1RAB9ASMN1; SMN2 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104353077-A | Pharmaceutical composition comprising a glucopyranosyl-substituted benzene derivative | BOEHRINGER INGELHEIM INT | 2015-02-18 | — | — | CN | disclosed |
| CN-104288166-A | Pharmaceutical composition comprising a glucopyranosyl-substituted benzene derivative | BOEHRINGER INGELHEIM INT | 2015-01-21 | — | — | CN | disclosed |
| US-20120141513-A1 | DEUTERATED FINGOLIMOD | CONCERT PHARMACEUTICALS INC. | 2012-06-07 | — | — | US | disclosed |
| US-8129361-B2 | Amine compound and pharmaceutical use thereof | MITSUBISHI TANABE PHARMA CORPORATION (JP) | 2012-03-06 | — | — | US | disclosed |
| US-8129361-B2 | Amine compound and pharmaceutical use thereof | MITSUBISHI TANABE PHARMA CORPORATION (JP) | 2012-03-06 | — | — | US | disclosed |
| CN-101784270-A | Pharmaceutical compositions comprising glucopyranosyl-substituted benzene derivatives | BOEHRINGER INGELHEIM INT | 2010-07-21 | — | — | CN | disclosed |
| US-20100179216-A1 | AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF | MITSUBISHI TANABE PHARMA CORPORATION (JP) | 2010-07-15 | — | — | US | disclosed |
| US-20100179216-A1 | AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF | MITSUBISHI TANABE PHARMA CORPORATION (JP) | 2010-07-15 | — | — | 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-20120141513-A1 | DEUTERATED FINGOLIMOD | S1PR1, S1PR3, S1PR4 | ALDH1A1 2873/4885TSHR 652/4885NPC1 433/4885 |
| US-20100179216-A1 | AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF | HLA-B, HLA-A, HLA-C | ALDH1A1 646/4885TSHR 1310/4885NPC1 2600/4885 |
“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.