Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SELE | P16581 | 2/20 | 0.38 |
| ▸ | VCAM1 | P19320 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.36 |
| ▸ | TMIGD3 | P0DMS9 | 2/20 | 0.36 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 3/20 | 0.32 |
| ▸ | RAB9A | P51151 | 3/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.32 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 3/20 | 0.31 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.31 |
| ▸ | HTR6 | P50406 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL1753928 | 0.77 | PDPK1 (0.33) | — | |
| SCHEMBL12341040 | 0.77 | — | — | |
| SCHEMBL27816744 | 0.76 | SELE (0.47) | SELEVCAM1CYP1A2CYP2C9TMIGD3 | |
| SCHEMBL5263629 | 0.70 | SELE (0.49) | SELEVCAM1CYP1A2CYP2C9TMIGD3 | |
| SCHEMBL12341044 | 0.65 | ADORA2A (0.41) | ADORA1 | |
| SCHEMBL14273702 | 0.63 | SELE (0.61) | SELEVCAM1CYP1A2CYP2C9TMIGD3 | |
| SCHEMBL17232440 | 0.63 | SELE (0.45) | SELEVCAM1CYP1A2CYP2C9TMIGD3 | |
| SCHEMBL7021081 | 0.63 | CYP2A6 (0.68) | SELEVCAM1CYP1A2CYP2C9TMIGD3 | |
| SCHEMBL13587137 | 0.63 | ADORA2A (0.33) | ADORA1 | |
| SCHEMBL13667861 | 0.62 | SELE (0.47) | SELEVCAM1CYP1A2CYP2C9TMIGD3 |
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-8158825-B2 | Modified malonate derivatives | MERCK SHARP & DOHME CORP. (US) | 2012-04-17 | — | — | US | disclosed |
| US-20100160327-A1 | Modified Malonate Derivatives | MERCK SHARP & DOHME LLC | 2010-06-24 | — | — | 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-20100160327-A1 | Modified Malonate Derivatives | ME2, ME3, ME1 | SELE 2474/4885VCAM1 705/4885CYP1A2 3158/4885 |
“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.