Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 13/20 | 0.45 |
| ▸ | GAA | P10253 | 6/20 | 0.45 |
| ▸ | HPGD | P15428 | 6/20 | 0.45 |
| ▸ | LMNA | P02545 | 3/20 | 0.45 |
| ▸ | HTT | P42858 | 3/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 12/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 10/20 | 0.41 |
| ▸ | MAPT | P10636 | 10/20 | 0.41 |
| ▸ | MEN1 | O00255 | 9/20 | 0.41 |
| ▸ | GLA | P06280 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.39 |
| ▸ | CASP1 | P29466 | 4/20 | 0.39 |
| ▸ | CASP7 | P55210 | 3/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | PTK2B | Q14289 | 1/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 4/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL1964761 | 0.83 | ALDH1A1 (0.58) | ALDH1A1GAAHPGDLMNAHTT | |
| SCHEMBL1971220 | 0.82 | ALDH1A1 (0.48) | ALDH1A1GAAHPGDLMNAHTT | |
| SCHEMBL13448729 | 0.81 | CYP2C19 (0.34) | ALDH1A1GAAHPGDLMNAKDM4E | |
| SCHEMBL1971627 | 0.71 | ALDH1A1 (0.49) | ALDH1A1GAAHPGDLMNAHTT | |
| SCHEMBL13415767 | 0.69 | ALDH1A1 (0.47) | ALDH1A1GAAHPGDLMNAHTT | |
| SCHEMBL6255233 | 0.66 | ALDH1A1 (0.56) | ALDH1A1GAAHPGDLMNAHTT | |
| SCHEMBL13448715 | 0.65 | CYP2C19 (0.38) | ALDH1A1GAAHPGDLMNAHTT | |
| SCHEMBL1970629 | 0.63 | MAPT (0.47) | ALDH1A1GAAHPGDLMNATP53 | |
| SCHEMBL6250858 | 0.63 | ALDH1A1 (0.52) | ALDH1A1GAAHPGDLMNAHTT | |
| SCHEMBL7718443 | 0.62 | MAPT (0.67) | ALDH1A1GAAHPGDLMNAHTT |
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-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 | claimed |
| 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 |
| 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 |
| 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 |
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 | ALDH1A1 357/4885GAA 1925/4885HPGD 1097/4885 |
“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.