Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 10/20 | 0.46 |
| ▸ | RAB9A | P51151 | 10/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 4/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | PPIA | P62937 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | EPHX2 | P34913 | 3/20 | 0.39 |
| ▸ | CDK1 | P06493 | 1/20 | 0.39 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.39 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.39 |
| ▸ | CDK2 | P24941 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL27761080 | 0.84 | PKM (0.57) | NPC1RAB9AKMT2APKMMEN1 | |
| SCHEMBL4353372 | 0.84 | RAB9A (0.46) | NPC1RAB9AKMT2APKMMEN1 | |
| SCHEMBL4357800 | 0.84 | EPHX2 (0.48) | NPC1RAB9AKMT2APKMSMN1; SMN2 | |
| SCHEMBL4348879 | 0.81 | ADORA2A (0.43) | NPC1RAB9AKMT2AMEN1GAA | |
| SCHEMBL4349504 | 0.81 | NPC1 (0.39) | NPC1RAB9AKMT2APKMMEN1 | |
| SCHEMBL4341989 | 0.78 | PKM (0.44) | NPC1RAB9AKMT2APKMMEN1 | |
| SCHEMBL4352149 | 0.75 | ERN1 (0.38) | GAAALDH1A1HPGDHTT | |
| SCHEMBL4347655 | 0.74 | MEN1 (0.47) | NPC1RAB9AKMT2AMEN1SMN1; SMN2 | |
| SCHEMBL27782810 | 0.74 | LMNA (0.46) | NPC1RAB9AKMT2APKMMEN1 | |
| SCHEMBL4347359 | 0.74 | PKM (0.44) | NPC1RAB9AKMT2APKMMEN1 |
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-20110065760-A1 | COMPOUNDS FOR THE INHIBITION OF ROTAMASES AND USE THEREOF | JERINI AG (DE) | 2011-03-17 | — | — | US | claimed |
| US-20070054904-A1 | Phenol derivatives and their use as rotamase inhibitors | JERINI AG (DE) | 2007-03-08 | — | — | US | claimed |
| EP-2100876-A2 | New compounds for the inhibition of rotamases and use thereof | Jerini AG (DE) | 2009-09-16 | — | — | EP | 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-20110065760-A1 | COMPOUNDS FOR THE INHIBITION OF ROTAMASES AND USE THEREOF | NR1I3, NR1D1, NR1D2 | NPC1 815/4885RAB9A 4228/4885KMT2A 2096/4885 |
| US-20070054904-A1 | Phenol derivatives and their use as rotamase inhibitors | NR1I3, NR1D1, NR1D2 | NPC1 1189/4885RAB9A 4588/4885KMT2A 1254/4885 |
“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.