Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.50 |
| ▸ | HPGD | P15428 | 5/20 | 0.50 |
| ▸ | GAA | P10253 | 4/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.50 |
| ▸ | MAPT | P10636 | 4/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.50 |
| ▸ | RAB9A | P51151 | 3/20 | 0.50 |
| ▸ | LMNA | P02545 | 3/20 | 0.50 |
| ▸ | NPC1 | O15118 | 2/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 3/20 | 0.49 |
| ▸ | CA12 | O43570 | 1/20 | 0.49 |
| ▸ | CA1 | P00915 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL18803865 | 0.86 | ALDH1A1 (0.59) | ALDH1A1HPGDGAAKDM4ESMN1; SMN2 | |
| SCHEMBL27636759 | 0.82 | ALDH1A1 (0.55) | ALDH1A1HPGDGAAKDM4ESMN1; SMN2 | |
| SCHEMBL4320540 | 0.81 | CA12 (0.72) | ALDH1A1HPGDGAAKDM4ESMN1; SMN2 | |
| SCHEMBL3869093 | 0.81 | TSHR (0.61) | ALDH1A1HPGDGAAKDM4ESMN1; SMN2 | |
| SCHEMBL12251420 | 0.80 | CA12 (0.56) | ALDH1A1HPGDGAAKDM4ESMN1; SMN2 | |
| SCHEMBL9681966 | 0.79 | ALDH1A1 (0.52) | ALDH1A1HPGDGAAKDM4ESMN1; SMN2 | |
| SCHEMBL5572324 | 0.79 | PTPN1 (0.55) | ALDH1A1HPGDGAAKDM4ESMN1; SMN2 | |
| SCHEMBL9683905 | 0.79 | ALDH1A1 (0.55) | ALDH1A1HPGDGAAKDM4ESMN1; SMN2 | |
| SCHEMBL4625760 | 0.79 | TSHR (0.58) | ALDH1A1GAAKDM4EMAPTNPSR1 | |
| SCHEMBL6536225 | 0.78 | ALDH1A1 (0.51) | ALDH1A1HPGDGAAKDM4ESMN1; SMN2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1716137-A1 | SUBSTITUTED QUINOLINE COMPOUNDS | Pfizer Products Incorporated (US) | 2006-11-02 | — | — | EP | disclosed |
| WO-2005080373-A1 | SUBSTITUTED QUINOLINE COMPOUNDS | PFIZER PRODUCTS INC. (US) | 2005-09-01 | — | — | WO | disclosed |