Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 5/20 | 0.45 |
| ▸ | RAB9A | P51151 | 4/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.44 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.43 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.43 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.43 |
| ▸ | CTSV | O60911 | 1/20 | 0.43 |
| ▸ | CTSL | P07711 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL3866004 | 0.95 | ITGB1 (0.46) | NPC1RAB9AITGB1ITGA4SMN1; SMN2 | |
| SCHEMBL3875583 | 0.94 | MEN1 (0.45) | NPC1RAB9ACYP1A2CYP2D6CYP2C19 | |
| SCHEMBL3866516 | 0.94 | ROCK2 (0.47) | NPC1RAB9AITGB1ITGA4SMN1; SMN2 | |
| SCHEMBL12361222 | 0.94 | ROCK2 (0.47) | NPC1RAB9AITGB1ITGA4SMN1; SMN2 | |
| SCHEMBL3876648 | 0.94 | ITGB1 (0.47) | NPC1RAB9AITGB1ITGA4SMN1; SMN2 | |
| SCHEMBL3869887 | 0.93 | ROCK2 (0.46) | NPC1RAB9AITGB1ITGA4SMN1; SMN2 | |
| SCHEMBL7985368 | 0.93 | ITGB1 (0.44) | NPC1RAB9AITGB1ITGA4SMN1; SMN2 | |
| SCHEMBL13940467 | 0.93 | ITGB1 (0.44) | NPC1RAB9AITGB1ITGA4SMN1; SMN2 | |
| SCHEMBL3866963 | 0.91 | ITGB1 (0.45) | NPC1RAB9AITGB1ITGA4SMN1; SMN2 | |
| SCHEMBL3873044 | 0.91 | PPARG (0.49) | NPC1RAB9AITGB1ITGA4CHRM3 |
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 | NPC1 2397/4885RAB9A 2103/4885CYP1A2 1646/4885 |
| US-20020052512-A1 | Diaminopropionic acid derivatives | AIFM1, AIFM2, HIF1A | NPC1 2397/4885RAB9A 2103/4885CYP1A2 1646/4885 |
| US-20070155671-A1 | Diaminopropionic acid derivatives | AIFM1, HIF1A, AIFM2 | NPC1 2646/4885RAB9A 2133/4885CYP1A2 2008/4885 |
| US-20050080119-A1 | Diaminopropionic acid derivatives | AIFM1, HIF1A, AIFM2 | NPC1 2646/4885RAB9A 2133/4885CYP1A2 2008/4885 |
“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.