Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 5/20 | 0.50 |
| ▸ | NOS3 | P29474 | 1/20 | 0.39 |
| ▸ | NOS1 | P29475 | 1/20 | 0.39 |
| ▸ | NOS2 | P35228 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CES1 | P23141 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | NAAA | Q02083 | 1/20 | 0.32 |
| ▸ | DGKA | P23743 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | CES2 | O00748 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | GMNN | O75496 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL6577987 | 0.81 | ACHE (0.61) | ACHENOS3NOS1NOS2ALDH1A1 | |
| SCHEMBL7066310 | 0.79 | ACHE (0.50) | ACHENOS3NOS1NOS2ALDH1A1 | |
| SCHEMBL1507150 | 0.78 | — | — | |
| SCHEMBL28180783 | 0.77 | ACHE (0.61) | ACHEALDH1A1CES1NAAADGKA | |
| SCHEMBL7741499 | 0.76 | — | — | |
| SCHEMBL3206571 | 0.75 | ACHE (0.69) | ACHEALDH1A1NPSR1CA1CA2 | |
| SCHEMBL6965242 | 0.74 | — | — | |
| SCHEMBL3670553 | 0.73 | ACHE (0.70) | ACHEALDH1A1NPSR1NAAATSHR | |
| SCHEMBL7131643 | 0.71 | NAAA (0.41) | ACHEALDH1A1NPSR1NAAADGKA | |
| SCHEMBL4278518 | 0.71 | ACHE (0.57) | ACHENPSR1CES1NAAADGKA |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1150175-C | Derivatives of 1,3,4-oxadiazolone | ����˹�ж�-����˹˹������˾ | 2004-05-19 | — | — | CN | disclosed |
| EP-1028721-B1 | N,N'-BIS(SULFONYL)HYDRAZINES USEFUL AS ANTINEOPLASTIC AGENTS | UNIV YALE (US) | 2003-06-04 | — | — | EP | disclosed |
| EP-0747385-B1 | Prodrugs of paclitaxel derivatives | BRISTOL MYERS SQUIBB CO (US) | 2002-08-14 | — | — | EP | disclosed |
| CN-1066151-C | Prodrugs of paclitaxel derivatives | BRISTOL MYERS SQUIBB CO (US) | 2001-05-23 | — | — | CN | disclosed |
| CN-1289249-A | Derivatives of 1,3,4-oxadiazolone | BRISTOL MYERS SQUIBB CO (US) | 2001-03-28 | — | — | CN | disclosed |
| EP-1028721-A4 | N,N'-BIS(SULFONYL)HYDRAZINES USEFUL AS ANTINEOPLASTIC AGENTS | UNIV YALE (US) | 2001-01-31 | — | — | EP | disclosed |
| EP-1028721-A1 | $i(N,N')-BIS(SULFONYL)HYDRAZINES USEFUL AS ANTINEOPLASTIC AGENTS | Yale University (US) | 2000-08-23 | — | — | EP | disclosed |
| US-6040338-A | N,n-bis(sulfonyl)hydrazines useful as antineoplastic agents | YALE UNIVERSITY (US) | 2000-03-21 | — | — | US | disclosed |
| WO-1999022726-A1 | N,N'-BIS(SULFONYL)HYDRAZINES USEFUL AS ANTINEOPLASTIC AGENTS | YALE UNIVERSITY (US) | 1999-05-14 | — | — | WO | disclosed |
| CN-1144805-A | Prodrugs of paclitaxel derivatives | BRISTOL MYERS SQUIBB CO (US) | 1997-03-12 | — | — | CN | disclosed |
| EP-0747385-A1 | Prodrugs of paclitaxel derivatives | BRISTOL-MYERS SQUIBB COMPANY (US) | 1996-12-11 | — | — | EP | disclosed |