Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTPS1 | P17812 | 1/20 | 0.58 |
| ▸ | MAPT | P10636 | 4/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.54 |
| ▸ | HPGD | P15428 | 2/20 | 0.54 |
| ▸ | NPC1 | O15118 | 1/20 | 0.54 |
| ▸ | RAB9A | P51151 | 1/20 | 0.54 |
| ▸ | GAA | P10253 | 3/20 | 0.51 |
| ▸ | POLB | P06746 | 2/20 | 0.51 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.48 |
| ▸ | SLC2A2 | P11168 | 1/20 | 0.48 |
| ▸ | SLC2A3 | P11169 | 1/20 | 0.48 |
| ▸ | HTR1D | P28221 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL6353867 | 0.99 | CTPS1 (0.57) | CTPS1MAPTALDH1A1KDM4EHPGD | |
| SCHEMBL1397384 | 0.83 | KDM4E (0.63) | ALDH1A1KDM4ENPC1RAB9APOLB | |
| SCHEMBL2779632 | 0.82 | HTR3A (0.59) | MAPTLMNASLC2A1SLC2A2SLC2A3 | |
| Hydrochloric Acid SCHEMBL6343776 | 0.82 | KDM4E (0.62) | ALDH1A1KDM4ENPC1RAB9APOLB | |
| Hydrochloric Acid SCHEMBL3072094 | 0.82 | KDM4E (0.62) | ALDH1A1KDM4ENPC1RAB9APOLB | |
| SCHEMBL7035600 | 0.81 | OPRK1 (0.49) | SLC2A1SLC2A2SLC2A3HTR1DMAPK1 | |
| Hydrochloric Acid SCHEMBL3072536 | 0.81 | HTR3A (0.58) | MAPTLMNASLC2A1SLC2A2SLC2A3 | |
| SCHEMBL6355490 | 0.79 | ALDH1A1 (0.60) | MAPTALDH1A1KDM4EHPGDNPC1 | |
| SCHEMBL7845695 | 0.77 | MAPK1 (0.48) | ALDH1A1KDM4EGAAPOLBHSD17B10 | |
| Hydrochloric Acid SCHEMBL6353868 | 0.77 | ALDH1A1 (0.59) | MAPTALDH1A1KDM4EHPGDNPC1 |
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-20050176730-A1 | Amide and urea derivatives as 5-HT reuptake inhibitors and as 5-HT 1B/1D ligands | MERCK PATENT GMBH (DE) | 2005-08-11 | — | — | US | disclosed |
| US-20030064995-A1 | Amide and urea derivatives as 5-HT reuptake inhibitors and as5-HT1B/1D ligands | MERCK PATENT GMBH (DE) | 2003-04-03 | — | — | US | disclosed |
| US-6509340-B1 | These preparations can be employed as medicaments in human and veterinary medicine. Possible excipients are organic or inorganic substances which are suitable for enteral (e.g. oral) on the central nervous system. | MERCK PATENTGESELLSCHAFT (DE) | 2003-01-21 | — | — | US | 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-20050176730-A1 | Amide and urea derivatives as 5-HT reuptake inhibitors and as 5-HT 1B/1D ligands | HTR1B, HTR1D, HTR1A | CTPS1 530/4885MAPT 1182/4885ALDH1A1 363/4885 |
| US-20030064995-A1 | Amide and urea derivatives as 5-HT reuptake inhibitors and as5-HT1B/1D ligands | HTR5A, HTR1B, HTR1A | CTPS1 1079/4885MAPT 1614/4885ALDH1A1 1003/4885 |
“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.