Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 11/20 | 0.65 |
| ▸ | RAB9A | P51151 | 9/20 | 0.65 |
| ▸ | SMN1; SMN2 | Q16637 | 8/20 | 0.65 |
| ▸ | STAT1 | P42224 | 1/20 | 0.65 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.61 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.61 |
| ▸ | MAPT | P10636 | 3/20 | 0.61 |
| ▸ | HPGD | P15428 | 2/20 | 0.61 |
| ▸ | ALPL | P05186 | 1/20 | 0.61 |
| ▸ | GAA | P10253 | 1/20 | 0.61 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.56 |
| ▸ | TP53 | P04637 | 2/20 | 0.56 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.56 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.56 |
| ▸ | RELA | Q04206 | 1/20 | 0.56 |
| ▸ | USP2 | O75604 | 1/20 | 0.55 |
| ▸ | ACP1 | P24666 | 1/20 | 0.51 |
| ▸ | HTT | P42858 | 1/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL10880169 | 0.89 | NPC1 (0.52) | NPC1RAB9ASMN1; SMN2STAT1ALDH1A1 | |
| SCHEMBL4667327 | 0.86 | NPC1 (0.68) | NPC1RAB9ASMN1; SMN2STAT1ALDH1A1 | |
| SCHEMBL145671 | 0.84 | NPC1 (0.67) | NPC1RAB9ASMN1; SMN2STAT1ALDH1A1 | |
| SCHEMBL30189826 | 0.84 | NPC1 (0.67) | NPC1RAB9ASMN1; SMN2STAT1ALDH1A1 | |
| SCHEMBL73574 | 0.83 | RAB9A (0.65) | NPC1RAB9ASMN1; SMN2STAT1ALDH1A1 | |
| SCHEMBL6844717 | 0.83 | NPC1 (0.65) | NPC1RAB9ASMN1; SMN2STAT1ALDH1A1 | |
| SCHEMBL19029298 | 0.83 | NPC1 (0.65) | NPC1RAB9ASMN1; SMN2STAT1ALDH1A1 | |
| SCHEMBL1094691 | 0.83 | NPC1 (0.65) | NPC1RAB9ASMN1; SMN2STAT1ALDH1A1 | |
| SCHEMBL18585932 | 0.81 | NPC1 (0.77) | NPC1RAB9ASMN1; SMN2STAT1ALDH1A1 | |
| SCHEMBL9373400 | 0.81 | NPC1 (0.62) | NPC1RAB9ASMN1; SMN2STAT1ALDH1A1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5565445-A | ANTIBIOTICS, USEFUL AGAINST METHICILLIN RESISTANT STAPHYLOCOCCUS AUREUS OR STAPHYLOCOCCUS EPIDERMIDIS AND METHICILLIN RESITANT COAGULASE NEGATIVE STAPHYLOCOCCI | MERCK & CO., INC. (US) | 1996-10-15 | — | — | US | disclosed |
| US-5541176-A | ANTIBIOTICS, USEFUL AGAINST METHICILLIN RESISTANT STAPHYLOCOCCUS | MERCK & CO., INC. (US) | 1996-07-30 | — | — | US | disclosed |
| US-5538964-A | ANTIBIOTICS FOR BACTERICIDES | MERCK & CO., INC. (US) | 1996-07-23 | — | — | US | disclosed |
| US-5498777-A | 3-thioheteroaryl cephalosporin compounds, compositions and methods of use | MERCK & CO., INC. (US) | 1996-03-12 | — | — | US | disclosed |
| WO-1996002548-A1 | 3-THIOHETEROARYL CEPHALOSPORIN COMPOUNDS, COMPOSITIONS AND METHODS OF USE | MERCK & CO., INC. (US) | 1996-02-01 | — | — | WO | disclosed |