Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.56 |
| ▸ | CA1 | P00915 | 1/20 | 0.56 |
| ▸ | CA2 | P00918 | 1/20 | 0.56 |
| ▸ | CA4 | P22748 | 1/20 | 0.56 |
| ▸ | CA6 | P23280 | 1/20 | 0.56 |
| ▸ | CA7 | P43166 | 1/20 | 0.56 |
| ▸ | TPMT | P51580 | 1/20 | 0.56 |
| ▸ | CA9 | Q16790 | 1/20 | 0.56 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.56 |
| ▸ | TSHR | P16473 | 3/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 6/20 | 0.49 |
| ▸ | POLB | P06746 | 3/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.47 |
| ▸ | PIM1 | P11309 | 1/20 | 0.47 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL10465657 | 0.86 | ALDH1A1 (0.52) | CA12CA1CA2CA4CA6 | |
| SCHEMBL8654881 | 0.80 | CA1 (0.52) | CA1CA2MAPTSMN1; SMN2ALDH1A1 | |
| SCHEMBL4653873 | 0.77 | RARA (0.41) | MAPTPOLBALDH1A1LMNAMEN1 | |
| SCHEMBL28103846 | 0.76 | TSHR (0.58) | CA12CA1CA2CA4CA6 | |
| SCHEMBL6449149 | 0.76 | CA12 (0.56) | CA12CA1CA2CA4CA6 | |
| SCHEMBL6142291 | 0.74 | CES2 (0.49) | CYP3A4MAPTSMN1; SMN2ALDH1A1HPGD | |
| SCHEMBL28379414 | 0.74 | TSHR (0.63) | CA12CA1CA2CA4CA6 | |
| SCHEMBL339242 | 0.73 | CA12 (0.71) | CA12CA1CA2CA4CA6 | |
| SCHEMBL3959577 | 0.73 | SMN1; SMN2 (0.51) | TSHRCYP3A4MAPTPOLBSMN1; SMN2 | |
| SCHEMBL2331029 | 0.73 | SMN1; SMN2 (0.51) | TSHRCYP3A4MAPTPOLBSMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4912221-A | Chiral 1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid and precursors and preparation thereof | OCCIDENTAL CHEMICAL CORPORATION (US) | 1990-03-27 | — | — | US | disclosed |