Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 1/20 | 0.46 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.46 |
| ▸ | ITGB1 | P05556 | 2/20 | 0.45 |
| ▸ | ITGA4 | P13612 | 2/20 | 0.45 |
| ▸ | ITGAL | P20701 | 3/20 | 0.44 |
| ▸ | ITGB2 | P05107 | 2/20 | 0.44 |
| ▸ | ICAM1 | P05362 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | CXCR3 | P49682 | 1/20 | 0.43 |
| ▸ | PPARG | P37231 | 5/20 | 0.43 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.42 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | MT-CO2 | P00403 | 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 | |
|---|---|---|---|---|
| SCHEMBL12361222 | 0.95 | ROCK2 (0.47) | ROCK2ROCK1ITGB1ITGA4ITGAL | |
| SCHEMBL3866516 | 0.95 | ROCK2 (0.47) | ROCK2ROCK1ITGB1ITGA4ITGAL | |
| SCHEMBL3876648 | 0.95 | ITGB1 (0.47) | ROCK2ROCK1ITGB1ITGA4ITGAL | |
| SCHEMBL3866004 | 0.94 | ITGB1 (0.46) | ROCK2ROCK1ITGB1ITGA4ITGAL | |
| SCHEMBL3875583 | 0.93 | MEN1 (0.45) | ROCK2ROCK1ITGB1ITGA4ITGAL | |
| SCHEMBL3876360 | 0.93 | NPC1 (0.45) | ROCK2ROCK1ITGB1ITGA4ITGAL | |
| SCHEMBL3870373 | 0.93 | PPARG (0.46) | ROCK2ROCK1ITGB1ITGA4ITGAL | |
| SCHEMBL3866963 | 0.92 | ITGB1 (0.45) | ROCK2ROCK1ITGB1ITGA4ITGAL | |
| SCHEMBL13940467 | 0.91 | ITGB1 (0.44) | ROCK2ROCK1ITGB1ITGA4ITGAL | |
| SCHEMBL7985368 | 0.91 | ITGB1 (0.44) | ROCK2ROCK1ITGB1ITGA4ITGAL |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6803384-B2 | FOR THERAPY OF REPERFUSION INJURY | HOFFMANN-LA ROCHE INC. | 2004-10-12 | — | — | US | claimed |
| US-20040006236-A1 | Diaminopropionic acid derivatives | FOTOUHI NADER (US) | 2004-01-08 | — | — | US | claimed |
| US-20020052512-A1 | Diaminopropionic acid derivatives | FOTOUHI NADER (US) | 2002-05-02 | — | — | US | claimed |
| US-7491741-B2 | Diaminopropionic acid derivatives | HOFFMANN-LA ROCHE INC. (US) | 2009-02-17 | — | — | US | disclosed |
| US-20070155671-A1 | Diaminopropionic acid derivatives | FOTOUHI NADER | 2007-07-05 | — | — | US | disclosed |
| US-7217728-B2 | Diaminopropionic acid derivatives | HOFFMANN-LA ROCHE INC. (US) | 2007-05-15 | — | — | US | disclosed |
| US-20050080119-A1 | Diaminopropionic acid derivatives | FOTOUHI NADER (US) | 2005-04-14 | — | — | US | disclosed |
| US-6803384-B2 | FOR THERAPY OF REPERFUSION INJURY | HOFFMANN-LA ROCHE INC. | 2004-10-12 | — | — | US | disclosed |
| US-20040006236-A1 | Diaminopropionic acid derivatives | FOTOUHI NADER (US) | 2004-01-08 | — | — | US | disclosed |
| US-20020052512-A1 | Diaminopropionic acid derivatives | FOTOUHI NADER (US) | 2002-05-02 | — | — | US | disclosed |
| US-6331640-B1 | TREATMENT OF REPERFUSION INJURIES | HOFFMANN-LA ROCHE INC. | 2001-12-18 | — | — | 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 (4 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-20040006236-A1 | Diaminopropionic acid derivatives | AIFM1, AIFM2, HIF1A | ROCK2 4245/4885ROCK1 3087/4885ITGB1 1498/4885 |
| US-20020052512-A1 | Diaminopropionic acid derivatives | AIFM1, AIFM2, HIF1A | ROCK2 4245/4885ROCK1 3087/4885ITGB1 1498/4885 |
| US-20070155671-A1 | Diaminopropionic acid derivatives | AIFM1, HIF1A, AIFM2 | ROCK2 4148/4885ROCK1 3663/4885ITGB1 1894/4885 |
| US-20050080119-A1 | Diaminopropionic acid derivatives | AIFM1, HIF1A, AIFM2 | ROCK2 4148/4885ROCK1 3663/4885ITGB1 1894/4885 |
“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.