Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 3/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.45 |
| ▸ | RORC | P51449 | 1/20 | 0.44 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | CASP1 | P29466 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.42 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL9780828 | 1.00 | KMT2A (0.49) | KMT2ACYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL2554506 | 0.82 | EPHX2 (0.49) | CYP1A2CYP3A4CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL9780682 | 0.79 | AKR1B1 (0.52) | KMT2ACYP3A4CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL9780678 | 0.79 | AKR1B1 (0.52) | KMT2ACYP3A4CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL13235859 | 0.79 | AKR1B1 (0.47) | KMT2ACYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL29176942 | 0.78 | ALDH1A1 (0.47) | KMT2ACYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL11862669 | 0.77 | KMT2A (0.53) | KMT2ACYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL8563484 | 0.76 | MMP8 (0.46) | KMT2ACYP1A2ALDH1A1TDP1TSHR | |
| SCHEMBL8428119 | 0.76 | CASP1 (0.48) | KMT2ACYP1A2ALDH1A1RORCNLRP3 | |
| SCHEMBL8568021 | 0.76 | CYP3A4 (0.40) | CYP3A4CYP2C9ALDH1A1RORCTDP1 |
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-5010060-A | Method of treating herpes simplex viral infection employing pyrimidine derivatives | HOFFMANN-LA ROCHE INC. (US) | 1991-04-23 | — | — | US | disclosed |
| US-4851519-A | AMIDO NUCLEOSIDES, VIRICIDES | HOFFMANN-LA ROCHE INC. (US) | 1989-07-25 | — | — | US | disclosed |