Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | GAA | P10253 | 3/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.33 |
| ▸ | MGAM | O43451 | 2/20 | 0.33 |
| ▸ | SI | P14410 | 2/20 | 0.33 |
| ▸ | MGAM2 | Q2M2H8 | 2/20 | 0.33 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.33 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.33 |
| ▸ | BACE1 | P56817 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | CASP1 | P29466 | 2/20 | 0.32 |
| ▸ | CASP7 | P55210 | 2/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL8571145 | 0.83 | — | — | |
| SCHEMBL6636272 | 0.78 | ALDH1A1 (0.32) | ALDH1A1GAACYP3A4MGAMSI | |
| SCHEMBL19944962 | 0.73 | S1PR4 (0.32) | — | |
| SCHEMBL844045 | 0.72 | HSD17B10 (0.35) | GAAMGAMSIMGAM2HSD17B10 | |
| SCHEMBL8569553 | 0.72 | — | — | |
| SCHEMBL411440 | 0.70 | BPTF (0.37) | ALDH1A1GAACYP3A4KDM4ECYP2D6 | |
| SCHEMBL8571001 | 0.69 | TTR (0.33) | ALDH1A1CYP3A4KDM4EMAPTTDP1 | |
| SCHEMBL16533544 | 0.69 | S1PR4 (0.32) | ALDH1A1GAAKDM4EMAPT | |
| SCHEMBL843578 | 0.69 | KMT2A (0.33) | — | |
| SCHEMBL8572128 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0824524-A1 | ALPHA-SUBSTITUTED PYRIMIDINE-THIOALKYL AND ALKYLETHER COMPOUNDS AS INHIBITORS OF VIRAL REVERSE TRANSCRIPTASE | PHARMACIA & UPJOHN COMPANY (US) | 1998-02-25 | — | — | EP | disclosed |