Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DPP4 | P27487 | 3/20 | 0.38 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.38 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.38 |
| ▸ | ANPEP | P15144 | 3/20 | 0.36 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.34 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.34 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.34 |
| ▸ | ELANE | P08246 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | BRD4 | O60885 | 2/20 | 0.33 |
| ▸ | FAAH | O00519 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.33 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL5599094 | 0.88 | TSHR (0.39) | DPP4NR1H2NR1H3ELANETSHR | |
| SCHEMBL5598833 | 0.80 | DPP4 (0.40) | DPP4NR1H2NR1H3ANPEPGABRA1 | |
| SCHEMBL4968610 | 0.76 | BRD4 (0.47) | BRD4HPGDALDH1A1MAPK1 | |
| SCHEMBL5598761 | 0.72 | TSHR (0.39) | DPP4NR1H2NR1H3ELANETSHR | |
| SCHEMBL9317821 | 0.70 | ALDH1A1 (0.48) | TSHRLMNACYP1A2CYP3A4HPGD | |
| SCHEMBL24423438 | 0.65 | MEN1 (0.34) | BRD4 | |
| SCHEMBL11807484 | 0.63 | DPP4 (0.46) | DPP4NR1H2NR1H3ANPEPCA1 | |
| Hydrochloric Acid SCHEMBL14922001 | 0.63 | HTT (0.38) | TSHRLMNACYP1A2ALDH1A1MAPK1 | |
| SCHEMBL4486201 | 0.62 | MAOB (0.36) | DPP4NR1H2NR1H3ANPEPGABRA1 | |
| SCHEMBL4968657 | 0.62 | CASR (0.42) | GABRA1GABRG2GABRB3TSHRFAAH |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7226946-B2 | Substituted phenol compounds useful for anesthesia and sedation | THERAVANCE, INC. (US) | 2007-06-05 | — | — | US | disclosed |
| US-20050032753-A1 | Substituted phenol compounds useful for anesthesia and sedation | THERAVANCE BIOPHARMA R&D IP, LLC | 2005-02-10 | — | — | US | disclosed |
| US-6815555-B2 | CONTAINING AN ESTER, ANHYDRIDE, PHOSPHONATE OR THIOESTER GROUP | THERAVANCE, INC. | 2004-11-09 | — | — | US | disclosed |
| EP-1430017-A2 | SUBSTITUTED PHENOL COMPOUNDS USEFUL FOR ANESTHESIA AND SEDATION | Theravance, Inc. (US) | 2004-06-23 | — | — | EP | disclosed |
| US-20030119790-A1 | Substituted phenol compounds useful for anesthesia and sedation | THERAVANCE BIOPHARMA R&D IP, LLC | 2003-06-26 | — | — | US | disclosed |
| WO-2003026632-A2 | SUBSTITUTED PHENOL COMPOUNDS USEFUL FOR ANESTHESIA AND SEDATION | THERAVANCE, INC. (US) | 2003-04-03 | — | — | WO | 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-20050032753-A1 | Substituted phenol compounds useful for anesthesia and sedation | OPRL1, PNMT, PPARG | DPP4 3256/4885NR1H2 446/4885NR1H3 270/4885 |
| US-20030119790-A1 | Substituted phenol compounds useful for anesthesia and sedation | OPRL1, PNMT, PPARG | DPP4 3256/4885NR1H2 446/4885NR1H3 270/4885 |
“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.