Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 4/20 | 0.33 |
| ▸ | MAPT | P10636 | 3/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.33 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | GALR3 | O60755 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.32 |
| ▸ | JAK1 | P23458 | 4/20 | 0.31 |
| ▸ | JAK3 | P52333 | 4/20 | 0.31 |
| ▸ | JAK2 | O60674 | 3/20 | 0.31 |
| ▸ | TYK2 | P29597 | 3/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL17452644 | 0.84 | TSHR (0.35) | ALDH1A1KDM4EGAAJAK1JAK3 | |
| SCHEMBL20229612 | 0.80 | HTT (0.38) | ALDH1A1KDM4EMAPT | |
| SCHEMBL17454490 | 0.72 | KEAP1 (0.40) | ALDH1A1KDM4ETDP1MAPK1MAPT | |
| SCHEMBL17453430 | 0.71 | EIF4A3 (0.43) | ALDH1A1KDM4ERAB9AMAPTSMN1; SMN2 | |
| SCHEMBL1841526 | 0.70 | MAPK1 (0.37) | ALDH1A1KDM4ETDP1MAPK1RAB9A | |
| SCHEMBL31030614 | 0.68 | EGLN2 (0.52) | — | |
| SCHEMBL22063786 | 0.67 | MAPK1 (0.44) | ALDH1A1KDM4ETDP1MAPK1RAB9A | |
| SCHEMBL3684977 | 0.67 | PIK3CD (0.47) | ALDH1A1KDM4ERAB9AMAPTSMN1; SMN2 | |
| SCHEMBL17453567 | 0.66 | NPC1 (0.43) | ALDH1A1KDM4ETDP1MAPK1RAB9A | |
| SCHEMBL4473501 | 0.65 | MAPK1 (0.38) | ALDH1A1KDM4ETDP1MAPK1RAB9A |
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 |
|---|---|---|---|---|---|---|---|
| US-9902702-B2 | Spirocycloheptanes as inhibitors of rock | BRISTOL-MYERS SQUIBB COMPANY (US) | 2018-02-27 | — | — | US | disclosed |
| US-20160016914-A1 | SPIROCYCLOHEPTANES AS INHIBITORS OF ROCK | BRISTOL-MYERS SQUIBB COMPANY | 2016-01-21 | — | — | 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-20160016914-A1 | SPIROCYCLOHEPTANES AS INHIBITORS OF ROCK | ROCK1, MYLK, ROCK2 | ALDH1A1 1252/4885KDM4E 1546/4885TDP1 682/4885 |
“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.