Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 2/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | TXNRD1 | Q16881 | 1/20 | 0.42 |
| ▸ | TXNRD3 | Q86VQ6 | 1/20 | 0.42 |
| ▸ | TXNRD2 | Q9NNW7 | 1/20 | 0.42 |
| ▸ | NPBWR1 | P48145 | 1/20 | 0.41 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.40 |
| ▸ | PNMT | P11086 | 1/20 | 0.40 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.40 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | LMNA | P02545 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | MGLL | Q99685 | 2/20 | 0.39 |
| ▸ | FAAH | O00519 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL13361464 | 0.90 | TXNRD1 (0.40) | POLBHTTTXNRD1TXNRD3TXNRD2 | |
| SCHEMBL8167752 | 0.86 | NPBWR1 (0.40) | POLBTXNRD1TXNRD3TXNRD2NPBWR1 | |
| SCHEMBL28466058 | 0.80 | TXNRD1 (0.59) | POLBHTTTXNRD1TXNRD3TXNRD2 | |
| SCHEMBL8167971 | 0.77 | ALDH1A1 (0.38) | HPGDALDH1A1LMNAMGLLFAAH | |
| SCHEMBL3088774 | 0.76 | ERN1 (0.51) | HTTTXNRD1TXNRD3TXNRD2HPGD | |
| SCHEMBL7566464 | 0.73 | POLB (0.59) | POLBHTTALDH1A1LMNAKDM4E | |
| SCHEMBL29106577 | 0.72 | ALDH1A1 (0.46) | POLBTXNRD1TXNRD3TXNRD2HPGD | |
| SCHEMBL13043154 | 0.72 | POLB (0.53) | POLBHTTALDH1A1LMNATSHR | |
| SCHEMBL9502657 | 0.72 | CYP19A1 (0.47) | POLBNPBWR1MCHR1HPGDALDH1A1 | |
| SCHEMBL29451622 | 0.72 | ALDH1A1 (0.49) | POLBHTTHPGDALDH1A1LMNA |
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-8420830-B2 | Macrocyclic factor VIIa inhibitors useful as anticoagulants | BRISTOL-MYERS SQUIBB COMPANY (US) | 2013-04-16 | — | — | US | disclosed |