Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | RHEB | Q15382 | 1/20 | 0.46 |
| ▸ | DHFR | P00374 | 1/20 | 0.41 |
| ▸ | LDHA | P00338 | 10/20 | 0.41 |
| ▸ | LDHB | P07195 | 8/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | HTR1A | P08908 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | HTR3A | P46098 | 1/20 | 0.40 |
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.40 |
| ▸ | KIF11 | P52732 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 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 | |
|---|---|---|---|---|
| SCHEMBL10786829 | 0.89 | TSHR (0.54) | TSHRALDH1A1RHEBLDHACYP1A2 | |
| SCHEMBL11125922 | 0.85 | ALDH1A1 (0.54) | TSHRALDH1A1RHEBDHFRLDHA | |
| SCHEMBL28016929 | 0.80 | TSHR (0.45) | TSHRALDH1A1DHFRLDHACYP2C9 | |
| SCHEMBL11778526 | 0.80 | ALDH1A1 (0.48) | TSHRALDH1A1RHEBDHFRLDHA | |
| SCHEMBL6915666 | 0.80 | RHEB (0.55) | TSHRALDH1A1RHEBDHFRLDHA | |
| SCHEMBL29543966 | 0.80 | RHEB (0.55) | TSHRALDH1A1RHEBDHFRLDHA | |
| SCHEMBL30548744 | 0.78 | RHEB (0.53) | TSHRALDH1A1RHEBDHFRLDHA | |
| SCHEMBL9812315 | 0.75 | CYP1A2 (0.51) | TSHRRHEBLDHACYP1A2CYP3A4 | |
| SCHEMBL31438320 | 0.75 | CYP1A2 (0.51) | TSHRRHEBLDHACYP1A2CYP3A4 | |
| Phosphine SCHEMBL10925154 | 0.73 | CYP1A2 (0.50) | TSHRRHEBLDHACYP1A2CYP3A4 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4029774-A | PHOSPHORODITHIOATES AND THEIR DERIVATIVES AND PESTICIDAL USE | ROHM AND HAAS COMPANY (US) | 1977-06-14 | — | — | US | disclosed |