Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TPSAB1 | Q15661 | 9/20 | 0.61 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | PRSS1 | P07477 | 3/20 | 0.46 |
| ▸ | TPSD1 | Q9BZJ3 | 1/20 | 0.46 |
| ▸ | TPSG1 | Q9NRR2 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | CA7 | P43166 | 1/20 | 0.45 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.45 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.44 |
| ▸ | KLK1 | P06870 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | BACE1 | P56817 | 3/20 | 0.43 |
| ▸ | BACE2 | Q9Y5Z0 | 2/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL624565 | 0.86 | CYP1A2 (0.51) | TPSAB1CYP2C9CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL624536 | 0.85 | CYP2C9 (0.65) | TPSAB1CYP2C9CYP2C19PRSS1CA1 | |
| SCHEMBL23254961 | 0.81 | TPSAB1 (0.61) | TPSAB1CYP2C9CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL4963071 | 0.81 | LMNA (0.56) | CYP2C19CYP1A2KMT2A | |
| SCHEMBL2580217 | 0.81 | CA1 (0.66) | TPSAB1CYP2C9CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL181282 | 0.81 | RIPK1 (0.61) | CYP2C9CYP2C19CYP1A2CYP2D6TSHR | |
| Hydrochloric Acid SCHEMBL23148228 | 0.80 | TPSAB1 (0.59) | TPSAB1CYP2C9CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL10071127 | 0.80 | TACR1 (0.39) | TPSAB1CYP2C9CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL181181 | 0.77 | ALDH1A1 (0.57) | MEN1KMT2A | |
| SCHEMBL4738233 | 0.76 | CYP2C9 (0.85) | TPSAB1CYP2C9CYP2C19CYP1A2CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012020221-A1 | COMPOUNDS | NOVACTA BIOSYSTEMS LIMITED (GB) | 2012-02-16 | — | — | WO | disclosed |
| WO-2012020221-A1 | COMPOUNDS | NOVACTA BIOSYSTEMS LIMITED (GB) | 2012-02-16 | — | — | WO | disclosed |