Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.48 |
| ▸ | POLB | P06746 | 2/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 3/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.44 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.42 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.41 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 4/20 | 0.40 |
| ▸ | CA2 | P00918 | 4/20 | 0.40 |
| ▸ | CA9 | Q16790 | 4/20 | 0.40 |
| ▸ | CA12 | O43570 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7982379 | 1.00 | ALDH1A1 (0.48) | ALDH1A1POLBTDP1TSHRMAPK1 | |
| SCHEMBL7982380 | 0.85 | ALDH1A1 (0.47) | ALDH1A1POLBTDP1TSHRMAPK1 | |
| SCHEMBL7354279 | 0.85 | ALDH1A1 (0.47) | ALDH1A1POLBTDP1TSHRMAPK1 | |
| SCHEMBL10906063 | 0.76 | ALDH1A1 (0.62) | ALDH1A1POLBTDP1TSHRMAPK1 | |
| SCHEMBL3310704 | 0.76 | CA1 (0.47) | ALDH1A1POLBTDP1TSHRKDM4E | |
| SCHEMBL2356493 | 0.76 | CA1 (0.47) | ALDH1A1POLBTDP1TSHRKDM4E | |
| SCHEMBL6241334 | 0.75 | P2RX7 (0.48) | ALDH1A1TSHRMAPK1KDM4EADRA1A | |
| SCHEMBL19177602 | 0.74 | ALDH1A1 (0.50) | ALDH1A1POLBTDP1TSHRMAPK1 | |
| SCHEMBL19177604 | 0.74 | ALDH1A1 (0.50) | ALDH1A1POLBTDP1TSHRMAPK1 | |
| SCHEMBL8535575 | 0.73 | KMT2A (0.55) | ALDH1A1ADRA1AKMT2AP2RX7CYP2C19 |
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-6284756-B1 | ANTICOAGULANT | ELI LILLY AND COMPANY | 2001-09-04 | — | — | US | disclosed |