Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PNMT | P11086 | 5/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | HTR2C | P28335 | 1/20 | 0.36 |
| ▸ | HTR2B | P41595 | 1/20 | 0.36 |
| ▸ | DRD2 | P14416 | 2/20 | 0.34 |
| ▸ | DRD3 | P35462 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | DPYD | Q12882 | 1/20 | 0.31 |
| ▸ | HTR6 | P50406 | 2/20 | 0.30 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.30 |
| ▸ | IMPDH1 | P20839 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL1968843 | 0.79 | DPYD (0.42) | PNMTHTR2AHTR2CHTR2BDRD2 | |
| SCHEMBL22482053 | 0.78 | HTR2A (0.40) | PNMTHTR2AHTR2CHTR2BDRD2 | |
| SCHEMBL19705560 | 0.67 | HTR2C (0.44) | PNMTHTR2AHTR2CHTR2BDRD2 | |
| SCHEMBL3828174 | 0.62 | ALDH1A1 (0.38) | DRD2DRD3ALDH1A1MAPTHPGD | |
| SCHEMBL29586892 | 0.61 | CD44 (0.58) | PNMTHTR2AHTR2CHTR2BDRD2 | |
| SCHEMBL29589119 | 0.61 | PNMT (0.69) | PNMTHTR2AHTR2CHTR2BDRD2 | |
| SCHEMBL15848407 | 0.61 | PNMT (0.41) | PNMTHTR2AHTR2CHTR2BDRD2 | |
| SCHEMBL7636993 | 0.61 | PNMT (0.69) | PNMTHTR2AHTR2CHTR2BDRD2 | |
| SCHEMBL1010480 | 0.61 | CD44 (0.58) | PNMTHTR2AHTR2CHTR2BDRD2 | |
| SCHEMBL20910625 | 0.60 | PNMT (0.37) | PNMTHTR2AHTR2CHTR2BDRD2 |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2334676-A1 | SUBSTITUTED 3 -AMIN0- 1-0X0 OR THIOXO-I, 2,5,6,7, 8-HEXAHYDR0-2, 7-NAPHTHYRIDINE-4-CARB0NITRILES AS SELECTIVE ALPHA 2B ANTAGONISTS | Allergan, Inc. (US) | 2011-06-22 | — | — | EP | claimed |
| US-20100076194-A1 | SUBSTITUTED 3-AMINO-1-OXO OR THIOXO-1,2,5,6,7,8-HEXAHYDRO-2,7-NAPHTHYRIDINE-4-CARBONITRILES ARE SELECTIVE ALPHA 2B ANTAGONISTS | ALLERGAN, INC. (US) | 2010-03-25 | — | — | US | claimed |
| WO-2010033393-A1 | SUBSTITUTED 3 -AMIN0- 1-0X0 OR THIOXO-I, 2,5,6,7, 8-HEXAHYDR0-2, 7-NAPHTHYRIDINE-4-CARB0NITRILES AS SELECTIVE ALPHA 2B ANTAGONISTS | ALLERGAN, INC. (US) | 2010-03-25 | — | — | WO | claimed |
| EP-2334676-B1 | SUBSTITUTED 3-AMINO-1-OXO OR THIOXO-1,2,5,6,7,8-HEXAHYDRO-2,7-NAPHTHYRIDINE-4-CARBONITRILES AS SELECTIVE ALPHA 2B ANTAGONISTS | ALLERGAN INC (US) | 2016-07-06 | — | — | EP | disclosed |
| EP-2334676-B1 | SUBSTITUTED 3-AMINO-1-OXO OR THIOXO-1,2,5,6,7,8-HEXAHYDRO-2,7-NAPHTHYRIDINE-4-CARBONITRILES AS SELECTIVE ALPHA 2B ANTAGONISTS | ALLERGAN INC (US) | 2016-07-06 | — | — | EP | disclosed |
| EP-2334676-A1 | SUBSTITUTED 3 -AMIN0- 1-0X0 OR THIOXO-I, 2,5,6,7, 8-HEXAHYDR0-2, 7-NAPHTHYRIDINE-4-CARB0NITRILES AS SELECTIVE ALPHA 2B ANTAGONISTS | Allergan, Inc. (US) | 2011-06-22 | — | — | EP | disclosed |
| EP-2334676-A1 | SUBSTITUTED 3 -AMIN0- 1-0X0 OR THIOXO-I, 2,5,6,7, 8-HEXAHYDR0-2, 7-NAPHTHYRIDINE-4-CARB0NITRILES AS SELECTIVE ALPHA 2B ANTAGONISTS | Allergan, Inc. (US) | 2011-06-22 | — | — | EP | disclosed |
| US-20100076194-A1 | SUBSTITUTED 3-AMINO-1-OXO OR THIOXO-1,2,5,6,7,8-HEXAHYDRO-2,7-NAPHTHYRIDINE-4-CARBONITRILES ARE SELECTIVE ALPHA 2B ANTAGONISTS | ALLERGAN, INC. (US) | 2010-03-25 | — | — | US | disclosed |
| US-20100076194-A1 | SUBSTITUTED 3-AMINO-1-OXO OR THIOXO-1,2,5,6,7,8-HEXAHYDRO-2,7-NAPHTHYRIDINE-4-CARBONITRILES ARE SELECTIVE ALPHA 2B ANTAGONISTS | ALLERGAN, INC. (US) | 2010-03-25 | — | — | US | disclosed |
| WO-2010033393-A1 | SUBSTITUTED 3 -AMIN0- 1-0X0 OR THIOXO-I, 2,5,6,7, 8-HEXAHYDR0-2, 7-NAPHTHYRIDINE-4-CARB0NITRILES AS SELECTIVE ALPHA 2B ANTAGONISTS | ALLERGAN, INC. (US) | 2010-03-25 | — | — | WO | disclosed |
| WO-2010033393-A1 | SUBSTITUTED 3 -AMIN0- 1-0X0 OR THIOXO-I, 2,5,6,7, 8-HEXAHYDR0-2, 7-NAPHTHYRIDINE-4-CARB0NITRILES AS SELECTIVE ALPHA 2B ANTAGONISTS | ALLERGAN, INC. (US) | 2010-03-25 | — | — | 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 (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-20100076194-A1 | SUBSTITUTED 3-AMINO-1-OXO OR THIOXO-1,2,5,6,7,8-HEXAHYDRO-2,7-NAPHTHYRIDINE-4-CARBONITRILES ARE SELECTIVE ALPHA 2B ANTAGONISTS | ADRA1D, ADRB1, ADRA1B | PNMT 1442/4885HTR2A 234/4885HTR2C 121/4885 |
“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.