Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.42 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.39 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | RXRA | P19793 | 1/20 | 0.39 |
| ▸ | RXRB | P28702 | 1/20 | 0.39 |
| ▸ | RXRG | P48443 | 1/20 | 0.39 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | PTGES | O14684 | 1/20 | 0.38 |
| ▸ | TAS2R14 | Q9NYV8 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | SSTR3 | P32745 | 1/20 | 0.38 |
| ▸ | PDE4A | P27815 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL16618196 | 0.84 | SMN1; SMN2 (0.53) | KMT2ASLC6A2EPHX2ALDH1A1SMN1; SMN2 | |
| SCHEMBL16618194 | 0.84 | SMN1; SMN2 (0.53) | KMT2ASLC6A2EPHX2ALDH1A1SMN1; SMN2 | |
| SCHEMBL18440290 | 0.84 | SLC6A2 (0.48) | KMT2ASLC6A2SLC6A4EPHX2ALDH1A1 | |
| SCHEMBL16624855 | 0.83 | SLC6A2 (0.41) | KMT2ASLC6A2SLC6A4EPHX2ALDH1A1 | |
| SCHEMBL16617178 | 0.81 | PTGER4 (0.38) | KMT2AALDH1A1CYP2C19RXRARXRB | |
| SCHEMBL16617175 | 0.81 | PTGER4 (0.38) | KMT2AALDH1A1CYP2C19RXRARXRB | |
| SCHEMBL6840220 | 0.74 | SRD5A2 (0.56) | KMT2AEPHX2ALDH1A1EPHX1NPC1 | |
| SCHEMBL5646773 | 0.72 | ALDH1A1 (0.48) | KMT2AALDH1A1EPHX1SMN1; SMN2POLB | |
| SCHEMBL11514730 | 0.71 | CHRM2 (0.48) | SLC6A2SLC6A4EPHX1SMN1; SMN2POLB | |
| SCHEMBL272354 | 0.71 | CHRM2 (0.48) | SLC6A2SLC6A4EPHX1SMN1; SMN2POLB |
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-9458181-B2 | Cathepsin cysteine protease inhibitors | MERCK SHARP & DOHME CORP. (US) | 2016-10-04 | — | — | US | disclosed |
| US-20150099719-A1 | CATHEPSIN CYSTEINE PROTEASE INHIBITORS | MERCK SHARP & DOHME LLC | 2015-04-09 | — | — | 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-20150099719-A1 | CATHEPSIN CYSTEINE PROTEASE INHIBITORS | CTSB, CTSS, CTSZ | KMT2A 3400/4885SLC6A2 4308/4885SLC6A4 4386/4885 |
“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.