Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 1/20 | 0.41 |
| ▸ | DDR1 | Q08345 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.39 |
| ▸ | PPARA | Q07869 | 4/20 | 0.39 |
| ▸ | SMPD1 | P17405 | 1/20 | 0.39 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.38 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.38 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.38 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | PDCD1 | Q15116 | 3/20 | 0.37 |
| ▸ | CD274 | Q9NZQ7 | 3/20 | 0.37 |
| ▸ | SPHK2 | Q9NRA0 | 1/20 | 0.37 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.37 |
| ▸ | CCR5 | P51681 | 1/20 | 0.37 |
| ▸ | CXCR3 | P49682 | 1/20 | 0.37 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL5189128 | 0.94 | AKR1B1 (0.44) | AKR1B1DDR1PPARASMPD1EPHX2 | |
| SCHEMBL5176958 | 0.93 | AKR1B1 (0.41) | AKR1B1DDR1MAOBPARP10PPARA | |
| SCHEMBL5178325 | 0.91 | DDR1 (0.41) | AKR1B1DDR1SMPD1EPHX2ADAM17 | |
| SCHEMBL5900814 | 0.90 | HTT (0.39) | AKR1B1DDR1SMPD1EPHX2CYP3A4 | |
| SCHEMBL5900967 | 0.89 | DDR1 (0.44) | AKR1B1DDR1EPHX2CYP3A4 | |
| Hydrochloric Acid SCHEMBL5900575 | 0.86 | F10 (0.47) | MAOBPARP10PPARAPLA2G1BATG4B | |
| SCHEMBL5175666 | 0.85 | HTT (0.49) | PDCD1CD274 | |
| SCHEMBL5900614 | 0.85 | DDR1 (0.44) | AKR1B1DDR1EPHX2 | |
| SCHEMBL5176645 | 0.84 | DDR1 (0.43) | AKR1B1DDR1EPHX2 | |
| SCHEMBL5178543 | 0.83 | F10 (0.48) | DDR1PARP10EPHX2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20060116410-A1 | 4-Aminomethyl benzamidine derivatives | HOFFMANN-LA ROCHE INC. | 2006-06-01 | — | — | 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-20060116410-A1 | 4-Aminomethyl benzamidine derivatives | F7, HABP2, F12 | AKR1B1 1203/4885DDR1 1764/4885MAOB 396/4885 |
“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.