Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCN9A | Q15858 | 1/20 | 0.53 |
| ▸ | ATM | Q13315 | 1/20 | 0.52 |
| ▸ | HTT | P42858 | 5/20 | 0.51 |
| ▸ | HPGD | P15428 | 1/20 | 0.51 |
| ▸ | TSHR | P16473 | 2/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 4/20 | 0.48 |
| ▸ | MGLL | Q99685 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.48 |
| ▸ | THRB | P10828 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | PKM | P14618 | 4/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.47 |
| ▸ | USP2 | O75604 | 2/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.46 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.46 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL7076839 | 0.85 | KMT2A (0.59) | POLBLMNAMGLLSMN1; SMN2THRB | |
| SCHEMBL7075196 | 0.83 | MGLL (0.54) | TSHRLMNAMGLLTHRBMEN1 | |
| SCHEMBL7074432 | 0.83 | HDAC4 (0.47) | LMNAMGLLTHRBALDH1A1HDAC4 | |
| SCHEMBL7075122 | 0.83 | LMNA (0.65) | HTTTSHRLMNAMGLLSMN1; SMN2 | |
| SCHEMBL7074222 | 0.83 | LMNA (0.62) | HTTLMNAMGLLSMN1; SMN2THRB | |
| SCHEMBL7070540 | 0.82 | TSHR (0.54) | SCN9AATMHTTHPGDTSHR | |
| SCHEMBL7071582 | 0.81 | LMNA (0.60) | ATMHTTTSHRLMNAMGLL | |
| SCHEMBL7071746 | 0.81 | MEN1 (0.54) | HTTPOLBLMNAMGLLSMN1; SMN2 | |
| Acetic Acid SCHEMBL27525156 | 0.81 | HTT (0.52) | SCN9AATMHTTHPGDTSHR | |
| SCHEMBL7069910 | 0.81 | MGLL (0.52) | TSHRLMNAMGLLTHRBMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1025086-B1 | BENZAMIDINE DERIVATIVES AS FACTOR XA INHIBITORS | MERCK PATENT GMBH (DE) | 2003-06-25 | — | — | EP | disclosed |
| US-6492368-B1 | Benzamidine derivatives as factor XA inhibitors | MERCK PATENT GMBH (DE) | 2002-12-10 | — | — | US | disclosed |