Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.35 |
| ▸ | HPGD | P15428 | 5/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | TYMS | P04818 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 3/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | PARP1 | P09874 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.31 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.31 |
| ▸ | USP2 | O75604 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 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 | |
|---|---|---|---|---|
| SCHEMBL2782984 | 0.78 | CA12 (0.39) | TSHRKDM4EALDH1A1CYP1A2MEN1 | |
| SCHEMBL13513238 | 0.71 | TSHR (0.41) | CYP3A4TSHRKDM4EALDH1A1HPGD | |
| SCHEMBL7524437 | 0.68 | PARP1 (0.44) | CYP3A4TSHRKDM4EALDH1A1HPGD | |
| SCHEMBL686577 | 0.66 | TSHR (0.50) | CYP3A4TSHRKDM4EALDH1A1HPGD | |
| SCHEMBL11256812 | 0.64 | CA12 (0.35) | CYP3A4TSHRKDM4EALDH1A1HPGD | |
| SCHEMBL11841056 | 0.63 | MEN1 (0.58) | CYP3A4TSHRKDM4EALDH1A1HPGD | |
| SCHEMBL7523238 | 0.63 | ALDH1A1 (0.42) | CYP3A4TSHRKDM4EALDH1A1HPGD | |
| SCHEMBL2763395 | 0.63 | RAB9A (0.37) | TSHRKDM4EALDH1A1KMT2ARAB9A | |
| SCHEMBL11384264 | 0.62 | ALDH1A1 (0.41) | TSHRKDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL4628961 | 0.61 | TSHR (0.44) | CYP3A4TSHRKDM4EALDH1A1HPGD |
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-1090000-A4 | NAPHTHO 1,8-DE]THIASIN-2-YL METHYL CARBAPENEM ANTIBACTERIALS | MERCK & CO INC (US) | 2002-11-27 | — | — | EP | disclosed |
| US-6346526-B1 | CARBAPENICILLIN WITH 1,1-DIOXO-2,3-DIHYDRONAPHTHO(1,8-DE)(1,2)THIAZIN-2-YL-SUBSTITUENT; TREATING STAPHYLOCOCCUS INFECTIONS RESISTANT TO METHICILLIN; SIDE EFFECT REDUCTION | MERCK & CO., INC. | 2002-02-12 | — | — | US | disclosed |
| EP-1090000-A1 | NAPHTHO 1,8-DE]THIASIN-2-YL METHYL CARBAPENEM ANTIBACTERIALS | Merck & Co., Inc. (US) | 2001-04-11 | — | — | EP | disclosed |
| WO-1999067242-A1 | NAPHTHO[1,8-DE]THIASIN-2-YL METHYL CARBAPENEM ANTIBACTERIALS | MERCK & CO., INC. (US) | 1999-12-29 | — | — | WO | disclosed |