Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.52 |
| ▸ | ACHE | P22303 | 2/20 | 0.50 |
| ▸ | TXNRD1 | Q16881 | 1/20 | 0.50 |
| ▸ | TXNRD3 | Q86VQ6 | 1/20 | 0.50 |
| ▸ | TXNRD2 | Q9NNW7 | 1/20 | 0.50 |
| ▸ | ELANE | P08246 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | THRB | P10828 | 1/20 | 0.47 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | GUCY1B2 | O75343 | 1/20 | 0.43 |
| ▸ | GUCY1A2 | P33402 | 1/20 | 0.43 |
| ▸ | GUCY1A1 | Q02108 | 1/20 | 0.43 |
| ▸ | GUCY1B1 | Q02153 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL3974935 | 0.84 | ACHE (0.52) | TDP1ACHEALDH1A1CYP3A4TSHR | |
| SCHEMBL21835368 | 0.81 | TXNRD1 (0.50) | TDP1ACHETXNRD1TXNRD3TXNRD2 | |
| SCHEMBL27975078 | 0.81 | ELANE (0.48) | ACHETXNRD1TXNRD3TXNRD2ELANE | |
| SCHEMBL11154554 | 0.81 | KMT2A (0.63) | ACHETXNRD1TXNRD3TXNRD2ELANE | |
| SCHEMBL11153345 | 0.81 | ALDH1A1 (0.47) | TDP1ACHETXNRD1TXNRD3TXNRD2 | |
| SCHEMBL9587522 | 0.78 | ABCG2 (0.48) | TDP1ACHEALDH1A1CYP3A4TSHR | |
| SCHEMBL9588295 | 0.78 | ACHE (0.47) | TDP1ACHEALDH1A1CYP3A4TSHR | |
| SCHEMBL2986361 | 0.78 | ACHE (0.47) | TDP1ACHEALDH1A1CYP3A4TSHR | |
| SCHEMBL15821234 | 0.77 | RHOA (0.46) | ACHETXNRD1TXNRD3TXNRD2ELANE | |
| SCHEMBL10957759 | 0.76 | PIK3CG (0.51) | TDP1TXNRD1TXNRD3TXNRD2ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1993013079-A1 | ANTIFOLATE QUINAZOLINES | AGOURON PHARMACEUTICALS, INC. (US) | 1993-07-08 | — | — | WO | disclosed |