Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 15/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.42 |
| ▸ | EBP | Q15125 | 1/20 | 0.42 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.40 |
| ▸ | BACE1 | P56817 | 1/20 | 0.40 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL11633835 | 0.86 | SIGMAR1 (0.46) | SIGMAR1ALDH1A1CYP1A2MAPTCYP2C19 | |
| Hydrochloric Acid SCHEMBL30343200 | 0.85 | SIGMAR1 (0.45) | SIGMAR1ALDH1A1CYP1A2MAPTCYP2C19 | |
| SCHEMBL7320066 | 0.84 | SIGMAR1 (0.47) | SIGMAR1ALDH1A1MAPTSMN1; SMN2TMEM97 | |
| SCHEMBL29412737 | 0.84 | SIGMAR1 (0.47) | SIGMAR1ALDH1A1MAPTSMN1; SMN2TMEM97 | |
| SCHEMBL7326207 | 0.84 | SIGMAR1 (0.48) | SIGMAR1ALDH1A1CYP1A2MAPTCYP2C19 | |
| SCHEMBL7326682 | 0.83 | SIGMAR1 (0.57) | SIGMAR1ALDH1A1CYP1A2MAPTCYP2C19 | |
| Hydrochloric Acid SCHEMBL9152015 | 0.82 | SIGMAR1 (0.56) | SIGMAR1ALDH1A1CYP1A2MAPTCYP2C19 | |
| SCHEMBL8330793 | 0.81 | NUDT1 (0.52) | SIGMAR1ALDH1A1MAPTSMN1; SMN2TMEM97 | |
| SCHEMBL8328690 | 0.81 | SIGMAR1 (0.40) | SIGMAR1MEN1KMT2ATMEM97EBP | |
| SCHEMBL11675755 | 0.79 | NUDT1 (0.45) | SIGMAR1TMEM97EBPNUDT1BACE1 |
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-4104383-A | PSYCHOSTIMULANT, ANTISPASMODIC, HYPOTENSIVE, ANALGESIC | C M INDUSTRIES (FR) | 1978-08-01 | — | — | US | claimed |
| US-4104383-A | PSYCHOSTIMULANT, ANTISPASMODIC, HYPOTENSIVE, ANALGESIC | C M INDUSTRIES (FR) | 1978-08-01 | — | — | US | disclosed |