Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.64 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.56 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.56 |
| ▸ | TSHR | P16473 | 3/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.43 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | GLA | P06280 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | LIG1 | P18858 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | CASP3 | P42574 | 1/20 | 0.40 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.40 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.40 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL27901950 | 0.85 | CYP3A4 (0.68) | CYP3A4ALDH1A1HSD17B10TSHRKDM4E | |
| SCHEMBL10953230 | 0.84 | CYP3A4 (0.62) | CYP3A4ALDH1A1HSD17B10TSHRKDM4E | |
| SCHEMBL9597291 | 0.82 | ACLY (0.53) | CYP3A4ALDH1A1HSD17B10KDM4EAGTR1 | |
| SCHEMBL7616111 | 0.81 | CYP3A4 (0.51) | CYP3A4ALDH1A1HSD17B10TSHRKDM4E | |
| SCHEMBL8957286 | 0.81 | CYP3A4 (0.70) | CYP3A4ALDH1A1HSD17B10TSHRKDM4E | |
| SCHEMBL2460812 | 0.81 | CYP3A4 (0.70) | CYP3A4ALDH1A1HSD17B10TSHRKDM4E | |
| SCHEMBL1203726 | 0.81 | TSHR (0.61) | ALDH1A1HSD17B10TSHRKDM4EKMT2A | |
| SCHEMBL2992712 | 0.80 | AGTR1 (0.49) | CYP3A4ALDH1A1HSD17B10KDM4EAGTR1 | |
| Bicarbonate SCHEMBL20838538 | 0.80 | CYP3A4 (0.92) | CYP3A4ALDH1A1HSD17B10TSHRKDM4E | |
| SCHEMBL1784054 | 0.79 | ALDH1A1 (0.59) | CYP3A4ALDH1A1TSHRKDM4EAGTR1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0232623-B1 | 1-CARBACEPHALOSPORIN ANTIBIOTICS | ELI LILLY AND COMPANY (US) | 1993-03-17 | — | — | EP | disclosed |
| US-4892942-A | 1-CARBA (DETHIA)CEPHALOSPORINS | ELI LILLY AND COMPANY (US) | 1990-01-09 | — | — | US | disclosed |
| US-4791106-A | 1-Carbacephalosporin antibiotics | ELI LILLY AND COMPANY (US) | 1988-12-13 | — | — | US | disclosed |
| EP-0232623-A1 | 1-Carbacephalosporin antibiotics | ELI LILLY AND COMPANY (US) | 1987-08-19 | — | — | EP | disclosed |