Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.44 |
| ▸ | TTR | P02766 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | KMO | O15229 | 1/20 | 0.41 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | MYC | P01106 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | SERPINE1 | P05121 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL27772892 | 0.86 | TSHR (0.55) | TSHRALDH1A1TDP1CYP1A2CYP3A4 | |
| SCHEMBL7815535 | 0.80 | MYC (0.57) | ALDH1A1TDP1CYP2C19MAPTTTR | |
| SCHEMBL5533223 | 0.77 | KMT2A (0.60) | TSHRALDH1A1TDP1CYP1A2CYP2C19 | |
| SCHEMBL31213040 | 0.76 | MYC (0.57) | TSHRALDH1A1TDP1CYP2C19MAPT | |
| SCHEMBL29171465 | 0.75 | KDM4E (0.57) | ALDH1A1TDP1MAPTALOX15MYC | |
| SCHEMBL20945174 | 0.74 | ALDH1A1 (0.58) | TSHRALDH1A1TDP1MAPTSRD5A2 | |
| SCHEMBL14502327 | 0.73 | TDP1 (0.56) | TSHRALDH1A1TDP1CYP2C19MAPT | |
| SCHEMBL13903445 | 0.72 | TSHR (0.52) | TSHRALDH1A1TDP1MAPTSRD5A2 | |
| SCHEMBL15122952 | 0.72 | GAA (0.62) | TSHRALDH1A1TDP1TTRKMO | |
| SCHEMBL371998 | 0.72 | TSHR (1.00) | TSHRALDH1A1MAPTSRD5A2TTR |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6162918-A | Xanthene and acridine derivatives | HOFFMANN-LA ROCHE INC. (US) | 2000-12-19 | — | — | US | disclosed |
| US-5969139-A | INHIBITORS OF HERPES SIMPLEX VIRUS THYMIDINE KINASE | HOFFMANN-LA ROCHE INC. (US) | 1999-10-19 | — | — | US | disclosed |
| EP-0823426-A1 | Xanthene and acridine derivatives and their use | F. HOFFMANN-LA ROCHE AG (CH) | 1998-02-11 | — | — | EP | disclosed |