Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | STK39 | Q9UEW8 | 5/20 | 0.46 |
| ▸ | PNLIP | P16233 | 1/20 | 0.46 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.46 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.46 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | PARG | Q86W56 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 3/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.42 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.42 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.42 |
| ▸ | PDE4A | P27815 | 1/20 | 0.42 |
| ▸ | EPHX2 | P34913 | 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 | |
|---|---|---|---|---|
| SCHEMBL4346853 | 0.90 | STK39 (0.51) | STK39PTGS1TBXAS1MAPK1PTGS2 | |
| SCHEMBL4346893 | 0.88 | PTGS1 (0.41) | TSHRSTK39PNLIPPTGS1TBXAS1 | |
| SCHEMBL4354221 | 0.87 | P2RX1 (0.46) | STK39PTGS1TBXAS1MAPK1PTGS2 | |
| SCHEMBL4343809 | 0.83 | TSHR (0.47) | TSHRRAB9APKMNPC1MEN1 | |
| SCHEMBL4351946 | 0.82 | P2RX1 (0.53) | TSHRRAB9APKMNPC1MEN1 | |
| SCHEMBL4347958 | 0.82 | TSHR (0.50) | TSHRSTK39PNLIPPTGS1TBXAS1 | |
| SCHEMBL4345461 | 0.82 | TSHR (0.44) | TSHRMAPK1RAB9APKMNPC1 | |
| SCHEMBL4345478 | 0.81 | TSHR (0.47) | TSHRSTK39PNLIPRAB9APKM | |
| SCHEMBL4345983 | 0.79 | RAB9A (0.50) | TSHRPNLIPRAB9APKMNPC1 | |
| SCHEMBL4346926 | 0.76 | TSHR (0.46) | TSHRPNLIPRAB9APKMNPC1 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| 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 (1 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-20070054904-A1 | Phenol derivatives and their use as rotamase inhibitors | NR1I3, NR1D1, NR1D2 | TSHR 1455/4885STK39 3388/4885PNLIP 4079/4885 |
“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.