Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 4/20 | 0.51 |
| ▸ | NPC1 | O15118 | 3/20 | 0.51 |
| ▸ | PKM | P14618 | 3/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.50 |
| ▸ | GAA | P10253 | 2/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 2/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.43 |
| ▸ | NAMPT | P43490 | 1/20 | 0.42 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.42 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | THRB | P10828 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL6225613 | 0.94 | RAB9A (0.46) | RAB9ANPC1PKMALDH1A1KMT2A | |
| SCHEMBL4342061 | 0.88 | RAB9A (0.49) | RAB9ANPC1PKMALDH1A1KMT2A | |
| SCHEMBL4345527 | 0.85 | RAB9A (0.53) | RAB9ANPC1PKMALDH1A1KMT2A | |
| SCHEMBL4342163 | 0.83 | RAB9A (0.61) | RAB9ANPC1PKMALDH1A1KMT2A | |
| SCHEMBL4350316 | 0.82 | POLB (0.54) | RAB9ANPC1ALDH1A1KMT2AGAA | |
| SCHEMBL4349823 | 0.81 | DDX3X (0.55) | RAB9ANPC1PKMALDH1A1KMT2A | |
| SCHEMBL4351694 | 0.78 | CYP3A4 (0.47) | RAB9ANPC1PKMALDH1A1KMT2A | |
| SCHEMBL4342033 | 0.78 | RAB9A (0.61) | RAB9ANPC1PKMALDH1A1KMT2A | |
| SCHEMBL6225618 | 0.77 | EGFR (0.39) | ALDH1A1KMT2AGAAMAPTHPGD | |
| SCHEMBL12846660 | 0.77 | NPC1 (0.56) | RAB9ANPC1PKMALDH1A1KMT2A |
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 5 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 |
| EP-2100876-A2 | New compounds for the inhibition of rotamases and use thereof | Jerini AG (DE) | 2009-09-16 | — | — | EP | claimed |
| US-20070054904-A1 | Phenol derivatives and their use as rotamase inhibitors | JERINI AG (DE) | 2007-03-08 | — | — | US | claimed |
| CN-1701061-A | Novel compounds for inhibiting rotamase enzymes and uses thereof | JERINI AG (DE) | 2005-11-23 | — | — | CN | 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 | RAB9A 4228/4885NPC1 815/4885PKM 333/4885 |
| US-20070054904-A1 | Phenol derivatives and their use as rotamase inhibitors | NR1I3, NR1D1, NR1D2 | RAB9A 4588/4885NPC1 1189/4885PKM 421/4885 |
“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.