Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.34 |
| ▸ | DPP4 | P27487 | 12/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | MGAM | O43451 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | SI | P14410 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.31 |
| ▸ | PNMT | P11086 | 1/20 | 0.31 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.31 |
| ▸ | USP2 | O75604 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL6077459 | 0.84 | CRHR1 (0.32) | CYP3A4MAPTMEN1KMT2ASLC22A1 | |
| SCHEMBL6078239 | 0.75 | NOTUM (0.42) | CYP2A6CYP3A4MAPTMEN1KMT2A | |
| SCHEMBL6919231 | 0.73 | CYP2A6 (0.41) | CYP2A6LOXL2DPP4CYP3A4MAPT | |
| SCHEMBL3806613 | 0.67 | DPP4 (0.40) | LOXL2DPP4CYP3A4KDM4EGAA | |
| SCHEMBL6079066 | 0.67 | CYP2A6 (0.41) | CYP2A6LOXL2DPP4CYP3A4MAPT | |
| SCHEMBL701343 | 0.66 | CYP2A6 (0.48) | CYP2A6LOXL2CYP3A4MAPTMEN1 | |
| SCHEMBL8935466 | 0.65 | KDM4E (0.41) | CYP2A6MAPTKMT2AKDM4EMGAM | |
| SCHEMBL28764594 | 0.65 | DPP4 (0.43) | DPP4MEN1KMT2ADPP8LMNA | |
| SCHEMBL10983827 | 0.65 | IDO1 (0.45) | DPP4KDM4EALDH1A1GAARAB9A | |
| SCHEMBL42557 | 0.64 | PNMT (0.52) | CYP2A6DPP4CYP3A4MAPTMEN1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7144899-B2 | Thrombin inhibitors | MERCK & CO., INC. (US) | 2006-12-05 | — | — | US | disclosed |
| US-20040073025-A1 | Thrombin inhibitors | MERCK SHARP & DOHME CORP. | 2004-04-15 | — | — | US | disclosed |
| WO-2002064559-A2 | THROMBIN INHIBITORS | MERCK & CO., INC. (US) | 2002-08-22 | — | — | WO | 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-20040073025-A1 | Thrombin inhibitors | F2, F11, F10 | CYP2A6 2106/4885LOXL2 4054/4885DPP4 3046/4885 |
“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.