Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A3 | Q01959 | 5/20 | 0.67 |
| ▸ | HIF1A | Q16665 | 4/20 | 0.67 |
| ▸ | ADRB2 | P07550 | 3/20 | 0.67 |
| ▸ | ADRB1 | P08588 | 3/20 | 0.67 |
| ▸ | ADRA2A | P08913 | 3/20 | 0.67 |
| ▸ | ADRB3 | P13945 | 3/20 | 0.67 |
| ▸ | ADRA2B | P18089 | 3/20 | 0.67 |
| ▸ | ADRA2C | P18825 | 3/20 | 0.67 |
| ▸ | TSHR | P16473 | 2/20 | 0.67 |
| ▸ | DRD1 | P21728 | 2/20 | 0.67 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.67 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.67 |
| ▸ | DRD3 | P35462 | 2/20 | 0.67 |
| ▸ | HTR1A | P08908 | 2/20 | 0.67 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.67 |
| ▸ | HTR7 | P34969 | 1/20 | 0.67 |
| ▸ | RAB9A | P51151 | 1/20 | 0.67 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.65 |
| ▸ | BLM | P54132 | 3/20 | 0.65 |
| ▸ | LMNA | P02545 | 1/20 | 0.65 |
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 | |
|---|---|---|---|---|
| SCHEMBL10193677 | 0.82 | SLC6A3 (0.46) | SLC6A3HIF1AADRB2ADRB1ADRA2A | |
| SCHEMBL19789444 | 0.80 | NPC1 (0.49) | SLC6A3HIF1AADRB2ADRB1ADRA2A | |
| SCHEMBL5848382 | 0.80 | HIF1A (0.53) | SLC6A3HIF1AADRB2ADRB1ADRA2A | |
| Phenylephrine SCHEMBL29382851 | 0.80 | HIF1A (1.00) | SLC6A3HIF1AADRB2ADRB1ADRA2A | |
| SCHEMBL3442993 | 0.80 | HIF1A (0.69) | SLC6A3HIF1AADRB2ADRB1ADRA2A | |
| SCHEMBL16072431 | 0.80 | HIF1A (0.69) | SLC6A3HIF1AADRB2ADRB1ADRA2A | |
| Phenylephrine SCHEMBL29392606 | 0.80 | HIF1A (1.00) | SLC6A3HIF1AADRB2ADRB1ADRA2A | |
| Phenylephrine SCHEMBL4711 | 0.80 | HIF1A (1.00) | SLC6A3HIF1AADRB2ADRB1ADRA2A | |
| Phenylephrine SCHEMBL4712 | 0.80 | HIF1A (1.00) | SLC6A3HIF1AADRB2ADRB1ADRA2A | |
| Phenylephrine SCHEMBL895602 | 0.80 | HIF1A (1.00) | SLC6A3HIF1AADRB2ADRB1ADRA2A |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1758585-A4 | HIV INTEGRASE INHIBITORS | MERCK & CO INC (US) | 2009-07-22 | — | — | EP | disclosed |
| US-7476666-B2 | HIV integrase inhibitors | MERCK & CO., INC. (US) | 2009-01-13 | — | — | US | disclosed |
| CN-101146540-A | HIV integrase inhibitors | MERCK & CO INC (US) | 2008-03-19 | — | — | CN | disclosed |
| US-20080015187-A1 | Hiv Integrase Inhibitors | MERCK SHARP & DOHME CORP. | 2008-01-17 | — | — | US | disclosed |
| EP-1758585-A2 | HIV INTEGRASE INHIBITORS | Merck & Co., Inc. (US) | 2007-03-07 | — | — | EP | disclosed |
| US-7112605-B2 | Sulfonyl-containing 3,4-diaryl-3-pyrrolin-2-ones, preparation method, and medical use thereof | Research Institute of Materia Medica Chinese Acadamy of Medical Sciences (CN) | 2006-09-26 | — | — | US | disclosed |
| WO-2005120516-A2 | HIV INTEGRASE INHIBITORS | MERCK & CO., INC. (US) | 2005-12-22 | — | — | WO | disclosed |
| US-20040029951-A1 | Sulfonyl-containing 3,4-diaryl-3-pyrrolin-2-ones, preparation method, and medical use thereof | RESEARCH INSTITUTE OF MATERIAL MEDICA, CHINESE ACADEMY OF MEDICAL SCIENCES; | 2004-02-12 | — | — | 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-20040029951-A1 | Sulfonyl-containing 3,4-diaryl-3-pyrrolin-2-ones, preparation method, and medical use thereof | PTGS1, PTGS2, PTGER1 | SLC6A3 1584/4885HIF1A 719/4885ADRB2 768/4885 |
| US-20080015187-A1 | Hiv Integrase Inhibitors | REV1, ZC3HAV1, PNP | SLC6A3 4241/4885HIF1A 4255/4885ADRB2 2280/4885 |
“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.