Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 16/20 | 0.73 |
| ▸ | RAB9A | P51151 | 16/20 | 0.73 |
| ▸ | KMT2A | Q03164 | 8/20 | 0.73 |
| ▸ | MEN1 | O00255 | 6/20 | 0.73 |
| ▸ | PKM | P14618 | 1/20 | 0.67 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.65 |
| ▸ | POLB | P06746 | 2/20 | 0.65 |
| ▸ | MAPT | P10636 | 5/20 | 0.60 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.60 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.60 |
| ▸ | RELA | Q04206 | 1/20 | 0.60 |
| ▸ | TP53 | P04637 | 1/20 | 0.53 |
| ▸ | LMNA | P02545 | 1/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.53 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL4349815 | 0.88 | NPC1 (0.65) | NPC1RAB9AKMT2AMEN1PKM | |
| SCHEMBL4351290 | 0.85 | NPC1 (0.74) | NPC1RAB9AKMT2AMEN1PKM | |
| SCHEMBL4341336 | 0.85 | RAB9A (0.79) | NPC1RAB9AKMT2AMEN1PKM | |
| SCHEMBL107421 | 0.81 | RAB9A (1.00) | NPC1RAB9AKMT2AMEN1PKM | |
| SCHEMBL4359226 | 0.80 | RAB9A (0.74) | NPC1RAB9AKMT2AMEN1PKM | |
| SCHEMBL4355476 | 0.78 | NPC1 (0.73) | NPC1RAB9AKMT2AMEN1PKM | |
| SCHEMBL12692443 | 0.76 | RAB9A (1.00) | NPC1RAB9AKMT2AMEN1SMN1; SMN2 | |
| SCHEMBL4345585 | 0.76 | CNR1 (0.56) | NPC1RAB9AKMT2AMEN1SMN1; SMN2 | |
| SCHEMBL4341436 | 0.76 | SMN1; SMN2 (0.68) | NPC1RAB9AKMT2AMEN1SMN1; SMN2 | |
| SCHEMBL4355630 | 0.75 | NPC1 (0.70) | NPC1RAB9AKMT2AMEN1PKM |
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 | 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.