Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO1 | P15559 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | LTA4H | P09960 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | TP53 | P04637 | 4/20 | 0.39 |
| ▸ | NPC1 | O15118 | 4/20 | 0.39 |
| ▸ | RAB9A | P51151 | 4/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.39 |
| ▸ | HPGD | P15428 | 3/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.39 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.39 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | XDH | P47989 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL2222934 | 0.92 | NQO1 (0.42) | NQO1TSHRLTA4HKDM4EALDH1A1 | |
| SCHEMBL6382918 | 0.92 | CYP11B1 (0.44) | NQO1TSHRTDP1KDM4EALDH1A1 | |
| SCHEMBL8527534 | 0.92 | NQO1 (0.45) | NQO1TSHRTDP1KDM4EALDH1A1 | |
| SCHEMBL17536735 | 0.90 | MAPT (0.39) | NQO1TSHRKDM4EALDH1A1TP53 | |
| SCHEMBL9559856 | 0.88 | CHRNA7 (0.41) | NQO1TSHRTDP1TP53CYP11B1 | |
| SCHEMBL6194180 | 0.88 | TTK (0.43) | NQO1TSHRTDP1LTA4HKDM4E | |
| SCHEMBL9579433 | 0.88 | NQO1 (0.41) | NQO1TSHRTDP1HPGDNPSR1 | |
| SCHEMBL15067112 | 0.87 | NQO1 (0.48) | NQO1TSHRTDP1LTA4HKDM4E | |
| SCHEMBL9293790 | 0.85 | EPHX2 (0.38) | NQO1TP53SMN1; SMN2CYP3A4GAA | |
| SCHEMBL9701104 | 0.85 | CYP3A4 (0.45) | NQO1TDP1KDM4EALDH1A1NPC1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5749925-A | Dyeing or printing process with new and known cationic 4,5-dihydro-iH-1,2,3-triazolium compounds as dyestuffs and new cationic 4,5-dihydro-1H-1,2,3-triazolium compounds | BAYER AKTIENGESELLSCHAFT (DE) | 1998-05-12 | — | — | US | disclosed |
| US-5235061-A | 2,4-disilaalkanes; agriculture | KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) | 1993-08-10 | — | — | US | disclosed |