Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB1 | P08183 | 17/20 | 0.71 |
| ▸ | TSHR | P16473 | 2/20 | 0.68 |
| ▸ | LMNA | P02545 | 2/20 | 0.60 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.60 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.60 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.60 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.60 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.60 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.60 |
| ▸ | ABCC9 | O60706 | 1/20 | 0.60 |
| ▸ | KCNK2 | O95069 | 1/20 | 0.60 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.60 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.60 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.60 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.60 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.60 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.60 |
| ▸ | HTR2A | P28223 | 1/20 | 0.60 |
| ▸ | HTR2C | P28335 | 1/20 | 0.60 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.60 |
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 | |
|---|---|---|---|---|
| SCHEMBL2739136 | 0.94 | ABCB1 (0.67) | ABCB1TSHRLMNACYP1A2CYP2D6 | |
| SCHEMBL217494 | 0.91 | ABCB1 (0.70) | ABCB1TSHRLMNACYP1A2CYP2D6 | |
| SCHEMBL2739134 | 0.91 | ABCB1 (0.70) | ABCB1TSHRLMNACYP1A2CYP2D6 | |
| SCHEMBL2739140 | 0.90 | ABCB1 (0.74) | ABCB1TSHRLMNACYP1A2CYP2D6 | |
| SCHEMBL2739133 | 0.86 | ABCB1 (0.68) | ABCB1TSHRLMNACYP1A2CYP2D6 | |
| SCHEMBL8191703 | 0.83 | ABCB1 (1.00) | ABCB1TSHRLMNACYP1A2CYP2D6 | |
| SCHEMBL10123922 | 0.83 | ABCB1 (0.89) | ABCB1TSHRLMNACYP1A2CYP2D6 | |
| SCHEMBL11918307 | 0.83 | ABCB1 (0.78) | ABCB1TSHRLMNACYP1A2CYP2D6 | |
| SCHEMBL1331282 | 0.81 | ABCB1 (1.00) | ABCB1TSHRLMNACYP1A2CYP2D6 | |
| SCHEMBL10109275 | 0.81 | ABCB1 (0.76) | ABCB1TSHRLMNACYP1A2CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| US-8088918-B2 | Noncardiotoxic pharmaceutical compounds | WILLIAMSBURG HOLDINGS LLC (US) | 2012-01-03 | — | — | US | disclosed |
| US-8088918-B2 | Noncardiotoxic pharmaceutical compounds | WILLIAMSBURG HOLDINGS LLC (US) | 2012-01-03 | — | — | US | disclosed |