Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.47 |
| ▸ | CCR5 | P51681 | 3/20 | 0.45 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.43 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.41 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL9778004 | 0.91 | ALDH1A1 (0.47) | ALDH1A1CCR5HPGDCYP2C9TSHR | |
| SCHEMBL10593266 | 0.87 | CCR5 (0.51) | ALDH1A1CCR5HPGDTSHRMEN1 | |
| SCHEMBL9777973 | 0.78 | TBXA2R (0.58) | ALDH1A1CYP2C9TSHRALOX15TBXA2R | |
| SCHEMBL11361219 | 0.76 | TBXA2R (0.58) | ALDH1A1HPGDCYP2C9ALOX15TBXA2R | |
| SCHEMBL9777968 | 0.73 | ALDH1A1 (0.56) | ALDH1A1TSHRALOX15MEN1KMT2A | |
| SCHEMBL8329034 | 0.71 | CCR5 (0.58) | ALDH1A1CCR5TSHRHTTL3MBTL1 | |
| SCHEMBL9472791 | 0.69 | ALDH1A1 (0.63) | ALDH1A1TSHRTBXA2RTBXAS1MEN1 | |
| SCHEMBL9777943 | 0.69 | TBXA2R (0.56) | ALDH1A1CYP2C9TSHRTBXA2RTBXAS1 | |
| SCHEMBL9778008 | 0.69 | TBXA2R (0.56) | ALDH1A1TSHRALOX15TBXA2RTBXAS1 | |
| SCHEMBL9661336 | 0.68 | CA12 (0.61) | — |
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-4999345-A | Anticoagulants | BASF AKTIENGESELLSCHAFT (DE) | 1991-03-12 | — | — | US | disclosed |