Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.73 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.73 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.73 |
| ▸ | TSHR | P16473 | 1/20 | 0.65 |
| ▸ | MAPT | P10636 | 1/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.56 |
| ▸ | LMNA | P02545 | 3/20 | 0.55 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.55 |
| ▸ | NPC1 | O15118 | 3/20 | 0.53 |
| ▸ | RAB9A | P51151 | 3/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.52 |
| ▸ | POLB | P06746 | 2/20 | 0.50 |
| ▸ | MMP13 | P45452 | 1/20 | 0.50 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.49 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.48 |
| ▸ | TP53 | P04637 | 2/20 | 0.47 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.47 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.47 |
| ▸ | RELA | Q04206 | 1/20 | 0.47 |
| ▸ | USP2 | O75604 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL7664361 | 0.85 | CYP1A2 (0.74) | CYP1A2CYP2D6CYP2C19TSHRMAPT | |
| SCHEMBL9315092 | 0.85 | CYP1A2 (1.00) | CYP1A2CYP2D6CYP2C19TSHRMAPT | |
| SCHEMBL7868498 | 0.83 | CYP1A2 (0.67) | CYP1A2CYP2D6CYP2C19TSHRMAPT | |
| SCHEMBL7664413 | 0.80 | CYP1A2 (0.67) | CYP1A2CYP2D6CYP2C19TSHRMAPT | |
| SCHEMBL7668691 | 0.78 | ALDH1A1 (0.74) | CYP1A2CYP2D6CYP2C19TSHRMAPT | |
| SCHEMBL9817344 | 0.78 | CYP1A2 (0.68) | CYP1A2CYP2D6CYP2C19TSHRMAPT | |
| SCHEMBL8267156 | 0.77 | SMN1; SMN2 (0.72) | MAPTALDH1A1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL1231292 | 0.76 | CYP1A2 (0.65) | CYP1A2CYP2D6CYP2C19TSHRMAPT | |
| SCHEMBL6793500 | 0.76 | HTT (0.63) | TSHRALDH1A1SMN1; SMN2MMP13 | |
| SCHEMBL13947201 | 0.75 | MMP13 (0.61) | MAPTALDH1A1LMNANPC1RAB9A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6369070-B1 | Methods for inhibiting mrp1 | ELI LILLY AND COMPANY | 2002-04-09 | — | — | US | disclosed |
| EP-1067928-A4 | METHODS FOR INHIBITING MRP1 | LILLY CO ELI (US) | 2001-11-14 | — | — | EP | disclosed |
| EP-1067928-A1 | METHODS FOR INHIBITING MRP1 | ELI LILLY AND COMPANY (US) | 2001-01-17 | — | — | EP | disclosed |
| WO-1999051228-A1 | METHODS FOR INHIBITING MRP1 | ELI LILLY AND COMPANY (US) | 1999-10-14 | — | — | WO | disclosed |