Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.63 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.61 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.54 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.54 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.54 |
| ▸ | L3MBTL1 | Q9Y468 | 5/20 | 0.54 |
| ▸ | TSHR | P16473 | 3/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.54 |
| ▸ | POLB | P06746 | 1/20 | 0.52 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | CASP3 | P42574 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.49 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.49 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL19511234 | 1.00 | ALDH1A1 (0.63) | ALDH1A1TDP1KMT2ASLC6A2SLC6A3 | |
| SCHEMBL1655506 | 0.87 | ALDH1A1 (0.55) | ALDH1A1TDP1KMT2ASLC6A2SLC6A3 | |
| SCHEMBL1066455 | 0.87 | ALDH1A1 (0.67) | ALDH1A1TDP1KMT2ASLC6A2SLC6A3 | |
| SCHEMBL16127330 | 0.84 | ALDH1A1 (0.63) | ALDH1A1TDP1KMT2ASLC6A2SLC6A3 | |
| SCHEMBL7553264 | 0.83 | ALDH1A1 (0.50) | ALDH1A1TDP1KMT2ASLC6A2SLC6A3 | |
| SCHEMBL29388715 | 0.82 | ALDH1A1 (0.89) | ALDH1A1TDP1KMT2ASLC6A2SLC6A3 | |
| SCHEMBL50441 | 0.82 | ALDH1A1 (0.89) | ALDH1A1TDP1KMT2ASLC6A2SLC6A3 | |
| SCHEMBL7911356 | 0.82 | ALDH1A1 (0.50) | ALDH1A1TDP1KMT2ASLC6A2SLC6A3 | |
| SCHEMBL19638940 | 0.80 | TSHR (0.67) | ALDH1A1TDP1KMT2AL3MBTL1TSHR | |
| SCHEMBL5273761 | 0.80 | ALDH1A1 (0.58) | ALDH1A1TDP1KMT2ASLC6A2SLC6A3 |
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-9975903-B2 | Condensed heterocyclic compound | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2018-05-22 | — | — | US | disclosed |
| US-20170349605-A1 | CONDENSED HETEROCYCLIC COMPOUND | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2017-12-07 | — | — | 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-20170349605-A1 | CONDENSED HETEROCYCLIC COMPOUND | VIP, TMPRSS15, MMP2 | ALDH1A1 996/4885TDP1 4680/4885KMT2A 1181/4885 |
“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.