Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | NAAA | Q02083 | 2/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | SCN9A | Q15858 | 4/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.31 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL27858518 | 0.85 | CYP2C19 (0.40) | CYP2C19NAAAHTTSCN9ASMN1; SMN2 | |
| SCHEMBL2452485 | 0.85 | NAAA (0.40) | CYP2C19NAAAHTTSCN9ASMN1; SMN2 | |
| SCHEMBL19830971 | 0.85 | NAAA (0.40) | CYP2C19NAAAHTTSCN9ASMN1; SMN2 | |
| SCHEMBL6334628 | 0.82 | CYP2C19 (0.38) | CYP2C19NAAAHTTSCN9ASMN1; SMN2 | |
| SCHEMBL28208008 | 0.82 | NAAA (0.49) | CYP2C19NAAAHTTSCN9ASMN1; SMN2 | |
| SCHEMBL11408977 | 0.81 | CYP2C19 (0.36) | CYP2C19NAAAHTTSMN1; SMN2 | |
| SCHEMBL27774495 | 0.81 | ATM (0.38) | CYP2C19SCN9AEPHX1 | |
| SCHEMBL3051316 | 0.81 | ATM (0.38) | CYP2C19SCN9AEPHX1 | |
| Acetic Acid SCHEMBL27875197 | 0.81 | CYP2C19 (0.37) | CYP2C19NAAAHTTSCN9ASMN1; SMN2 | |
| SCHEMBL13979306 | 0.79 | TSHR (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-1198839-C | Novel dipeptide amidines as thrombin inhibitors | AIBET GMBH & CO KG (DE) | 2005-04-27 | — | — | CN | disclosed |
| US-6114358-A | Thrombin inhibitors | BASF AKTIENGESELLSCHAFT (DE) | 2000-09-05 | — | — | US | disclosed |
| CN-1175953-A | Novel dipeptide amidines as thrombin inhibitors | BASF AG (DE) | 1998-03-11 | — | — | CN | disclosed |