Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | GRN | P28799 | 1/20 | 0.47 |
| ▸ | SORT1 | Q99523 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | CTSL | P07711 | 1/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.41 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.41 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.41 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL13545145 | 0.85 | GRN (0.67) | KDM4EGRNSORT1RAB9ACTSL | |
| SCHEMBL3712192 | 0.81 | ALDH1A1 (0.44) | ALDH1A1CYP3A4HSD17B10KDM4EGRN | |
| SCHEMBL13064210 | 0.81 | KDM4E (0.51) | ALDH1A1CYP3A4HSD17B10KDM4EGRN | |
| SCHEMBL17920 | 0.81 | GRN (0.71) | ALDH1A1CYP3A4HSD17B10KDM4EGRN | |
| SCHEMBL3711515 | 0.80 | NPC1 (0.48) | ALDH1A1CYP3A4HSD17B10KDM4EGRN | |
| Hydrochloric Acid SCHEMBL8932269 | 0.79 | GRN (0.69) | ALDH1A1CYP3A4HSD17B10KDM4EGRN | |
| SCHEMBL951323 | 0.79 | KDM4E (0.50) | ALDH1A1CYP3A4HSD17B10KDM4EGRN | |
| SCHEMBL17732 | 0.79 | KDM4E (0.50) | ALDH1A1CYP3A4HSD17B10KDM4EGRN | |
| SCHEMBL13020360 | 0.78 | KDM4E (0.53) | ALDH1A1CYP3A4HSD17B10KDM4EGRN | |
| SCHEMBL30305711 | 0.78 | KDM4E (0.49) | ALDH1A1CYP3A4HSD17B10KDM4EGRN |
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-10611776-B2 | Spiroheptane salicylamides and related compounds as inhibitors of rock | BRISTOL-MYERS SQUIBB COMPANY (US) | 2020-04-07 | — | — | US | disclosed |
| US-20190016735-A1 | SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK | BRISTOL MYERS SQUIBB CO (US) | 2019-01-17 | — | — | US | disclosed |
| US-9902702-B2 | Spirocycloheptanes as inhibitors of rock | BRISTOL-MYERS SQUIBB COMPANY (US) | 2018-02-27 | — | — | 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 (2 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-20190016735-A1 | SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK | ROCK1, MYLK, RHOA | ALDH1A1 892/4885CYP3A4 3175/4885HSD17B10 1673/4885 |
| US-10611776-B2 | Spiroheptane salicylamides and related compounds as inhibitors of rock | ROCK1, MYLK, RHOA | ALDH1A1 892/4885CYP3A4 3175/4885HSD17B10 1673/4885 |
“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.