Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NTRK1 | P04629 | 2/20 | 0.37 |
| ▸ | LRRK2 | Q5S007 | 3/20 | 0.37 |
| ▸ | ACHE | P22303 | 5/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.32 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.32 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.32 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | GRIA2 | P42262 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL15724398 | 0.86 | LRRK2 (0.36) | NTRK1LRRK2ACHECYP1A2 | |
| SCHEMBL13194751 | 0.86 | LRRK2 (0.37) | NTRK1LRRK2ACHEADORA2AADORA1 | |
| SCHEMBL26160233 | 0.85 | ADORA2A (0.33) | LRRK2ACHEADORA2AADORA1ADORA3 | |
| SCHEMBL23501964 | 0.84 | LRRK2 (0.36) | NTRK1LRRK2ACHECYP1A2 | |
| SCHEMBL13598334 | 0.84 | LRRK2 (0.39) | NTRK1LRRK2ACHEADORA2AADORA1 | |
| SCHEMBL3905037 | 0.84 | GRIA2 (0.38) | NTRK1LRRK2ACHEADORA2AADORA1 | |
| SCHEMBL12984748 | 0.82 | NTRK1 (0.43) | NTRK1LRRK2ACHEADORA2AADORA1 | |
| SCHEMBL15723748 | 0.82 | GRM1 (0.37) | NTRK1LRRK2ADORA2AADORA1ADORA3 | |
| SCHEMBL15723750 | 0.82 | LRRK2 (0.34) | NTRK1LRRK2ADORA2AADORA1ADORA3 | |
| SCHEMBL15723737 | 0.81 | LRRK2 (0.35) | NTRK1LRRK2ACHE |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10829501-B2 | Spiroheptane salicylamides and related compounds as inhibitors of ROCK | BRISTOL-MYERS SQUIBB COMPANY (US) | 2020-11-10 | — | — | US | disclosed |
| US-20200131200-A1 | SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK | BRISTOL MYERS SQUIBB CO (US) | 2020-04-30 | — | — | US | disclosed |
| US-20180155296-A1 | SPIROCYCLOHEPTANES AS INHIBITORS OF ROCK | BRISTOL MYERS SQUIBB CO (US) | 2018-06-07 | — | — | US | disclosed |
| US-9944619-B2 | Compounds for the treatment of HIV | GILEAD SCIENCES, INC. (US) | 2018-04-17 | — | — | US | disclosed |
| US-20170137405-A1 | COMPOUNDS FOR THE TREATMENT OF HIV | GILEAD SCIENCES, INC. | 2017-05-18 | — | — | US | disclosed |
| US-9540343-B2 | Compounds for the treatment of HIV | GILEAD SCIENCES, INC. (US) | 2017-01-10 | — | — | US | disclosed |
| US-20140142085-A1 | COMPOUNDS FOR THE TREATMENT OF HIV | GILEAD SCIENCES, INC. (US) | 2014-05-22 | — | — | 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 (5 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-10829501-B2 | Spiroheptane salicylamides and related compounds as inhibitors of ROCK | ROCK1, MYLK, RHOA | NTRK1 1784/4885LRRK2 34/4885ACHE 1263/4885 |
| US-20170137405-A1 | COMPOUNDS FOR THE TREATMENT OF HIV | CCR5, NPC1, FURIN | NTRK1 4882/4885LRRK2 1138/4885ACHE 3996/4885 |
| US-20140142085-A1 | COMPOUNDS FOR THE TREATMENT OF HIV | CCR5, NPC1, FURIN | NTRK1 4882/4885LRRK2 1138/4885ACHE 3996/4885 |
| US-20180155296-A1 | SPIROCYCLOHEPTANES AS INHIBITORS OF ROCK | ROCK1, MYLK, ROCK2 | NTRK1 2023/4885LRRK2 118/4885ACHE 1176/4885 |
| US-20200131200-A1 | SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK | ROCK1, MYLK, RHOA | NTRK1 1784/4885LRRK2 34/4885ACHE 1263/4885 |
“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.