Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | PLA2G7 | Q13093 | 1/20 | 0.41 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.40 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.40 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.39 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.39 |
| ▸ | TGFBR1 | P36897 | 2/20 | 0.38 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.36 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.36 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.35 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.35 |
| ▸ | TRPV3 | Q8NET8 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.33 |
| ▸ | STIM1 | Q13586 | 1/20 | 0.33 |
| ▸ | ORAI1 | Q96D31 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL30363332 | 0.87 | KMT2A (0.50) | KMT2AALDH1A1ADORA2AADORA1GRIN1 | |
| SCHEMBL20457202 | 0.81 | KMT2A (0.54) | KMT2AALDH1A1ADORA2AADORA1TGFBR1 | |
| SCHEMBL5198293 | 0.81 | KMT2A (0.54) | KMT2AALDH1A1ADORA2AADORA1TGFBR1 | |
| SCHEMBL4753817 | 0.81 | ALDH1A1 (0.54) | KMT2AALDH1A1ADORA2AADORA1GRIN1 | |
| SCHEMBL26750160 | 0.79 | KMT2A (0.51) | KMT2AALDH1A1ADORA2AADORA1TGFBR1 | |
| SCHEMBL12924480 | 0.78 | KMT2A (0.47) | KMT2AALDH1A1ADORA2AADORA1TGFBR1 | |
| SCHEMBL4166964 | 0.76 | ALDH1A1 (0.56) | KMT2AALDH1A1ADORA2AADORA1TGFBR1 | |
| SCHEMBL4977409 | 0.76 | KMT2A (0.49) | KMT2AALDH1A1ADORA2AADORA1TGFBR1 | |
| SCHEMBL13490122 | 0.75 | KMT2A (0.54) | KMT2AALDH1A1ADORA2AADORA1TGFBR1 | |
| SCHEMBL24305797 | 0.75 | KMT2A (0.48) | KMT2AALDH1A1ADORA2AADORA1TGFBR1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8168798-B2 | Caspase inhibitor prodrugs | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-05-01 | — | — | US | disclosed |
| US-20110137037-A1 | CASPASE INHIBITOR PRODRUGS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-06-09 | — | — | US | disclosed |
| US-7879891-B2 | such as (S)-Carbazole-9-carboxylic acid 1-(3a-fluoromethyl-5-oxo-3a,5,6,6a-tetrahydro-furo[3,2-d]oxazol-2-yl)-2-methyl-propyl ester, used for the treatment of diseases related to inflammatory or degenerative conditions | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-02-01 | — | — | US | disclosed |
| US-20070155718-A1 | Caspase inhibitor prodrugs | VERTEX PHARMACEUTICALS INCORPORATED | 2007-07-05 | — | — | US | disclosed |
| US-20070155718-A1 | Caspase inhibitor prodrugs | VERTEX PHARMACEUTICALS INCORPORATED | 2007-07-05 | — | — | 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-20070155718-A1 | Caspase inhibitor prodrugs | CASP1, CASP5, CASP2 | KMT2A 3049/4885ALDH1A1 757/4885PLA2G7 668/4885 |
| US-20110137037-A1 | CASPASE INHIBITOR PRODRUGS | CASP1, CASP5, CASP2 | KMT2A 3049/4885ALDH1A1 757/4885PLA2G7 668/4885 |
“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.