Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | METAP2 | P50579 | 1/20 | 0.41 |
| ▸ | DRD1 | P21728 | 5/20 | 0.38 |
| ▸ | LRRK2 | Q5S007 | 2/20 | 0.37 |
| ▸ | SCN9A | Q15858 | 6/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.34 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.34 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.34 |
| ▸ | HTR1A | P08908 | 1/20 | 0.34 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.34 |
| ▸ | DRD2 | P14416 | 1/20 | 0.34 |
| ▸ | DRD4 | P21917 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL15698770 | 0.86 | CYP1A2 (0.42) | CYP1A2METAP2DRD1LRRK2SCN9A | |
| SCHEMBL19390838 | 0.83 | CYP1A2 (0.40) | CYP1A2METAP2DRD1LRRK2SCN9A | |
| SCHEMBL19390839 | 0.77 | AR (0.53) | CYP1A2METAP2LRRK2SCN9AALDH1A1 | |
| SCHEMBL17292799 | 0.74 | DRD1 (0.75) | DRD1ADRB2CHRM2ADRB1HTR1A | |
| SCHEMBL14938140 | 0.73 | HSD11B1 (0.53) | CYP1A2METAP2ALDH1A1CYP3A4CYP2D6 | |
| SCHEMBL17174288 | 0.73 | DRD1 (0.68) | CYP1A2DRD1SCN9AADRB2CHRM2 | |
| SCHEMBL1095281 | 0.71 | SCN9A (0.44) | CYP1A2METAP2DRD1SCN9AALDH1A1 | |
| SCHEMBL6764131 | 0.68 | HTR2A (0.43) | HTR2ASLC6A4 | |
| SCHEMBL6764202 | 0.66 | IDO1 (0.45) | SCN9AMAPTHTR3A | |
| SCHEMBL17174323 | 0.66 | DRD1 (0.64) | DRD1ADRB2CHRM2ADRB1HTR1A |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20180200253-A1 | Heteroaromatic Compounds and their Use as Dopamine D1 Ligands | PFIZER INC. (US) | 2018-07-19 | — | — | US | disclosed |
| US-20180200253-A1 | Heteroaromatic Compounds and their Use as Dopamine D1 Ligands | PFIZER INC. (US) | 2018-07-19 | — | — | US | disclosed |
| US-20170165270-A1 | Heteroaromatic Compounds and their Use as Dopamine D1 Ligands | PFIZER INC. (US) | 2017-06-15 | — | — | US | disclosed |
| US-20170165270-A1 | Heteroaromatic Compounds and their Use as Dopamine D1 Ligands | PFIZER INC. (US) | 2017-06-15 | — | — | US | disclosed |
| US-9617275-B2 | Heteroaromatic compounds and their use as dopamine D1 ligands | PFIZER INC. (US) | 2017-04-11 | — | — | US | disclosed |
| US-9617275-B2 | Heteroaromatic compounds and their use as dopamine D1 ligands | PFIZER INC. (US) | 2017-04-11 | — | — | US | disclosed |
| US-20150291625-A1 | Heteroaromatic Compounds and their Use as Dopamine D1 Ligands | PFIZER (US) | 2015-10-15 | — | — | 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 (3 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-20180200253-A1 | Heteroaromatic Compounds and their Use as Dopamine D1 Ligands | COMT, DRD2, NR3C1 | CYP1A2 935/4885METAP2 3928/4885DRD1 5/4885 |
| US-20150291625-A1 | Heteroaromatic Compounds and their Use as Dopamine D1 Ligands | ARRB1, ADRA1D, ADRB1 | CYP1A2 648/4885METAP2 3276/4885DRD1 10/4885 |
| US-20170165270-A1 | Heteroaromatic Compounds and their Use as Dopamine D1 Ligands | ARRB1, DRD3, ADRB1 | CYP1A2 1485/4885METAP2 3467/4885DRD1 10/4885 |
“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.