Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.41 |
| ▸ | MEN1 | O00255 | 5/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.41 |
| ▸ | MAPT | P10636 | 4/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 3/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | FAAH | O00519 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL4790745 | 1.00 | ALDH1A1 (0.41) | ALDH1A1MEN1KMT2AMAPTTDP1 | |
| SCHEMBL7760354 | 0.81 | RAB9A (0.41) | ALDH1A1MEN1KMT2AMAPTSMN1; SMN2 | |
| SCHEMBL28814775 | 0.81 | RAB9A (0.41) | ALDH1A1MEN1KMT2AMAPTSMN1; SMN2 | |
| SCHEMBL28814793 | 0.81 | RAB9A (0.41) | ALDH1A1MEN1KMT2AMAPTSMN1; SMN2 | |
| SCHEMBL4328403 | 0.76 | HPGD (0.44) | ALDH1A1MAPTSMN1; SMN2PKMCYP2C19 | |
| SCHEMBL4323776 | 0.76 | HPGD (0.44) | ALDH1A1MAPTSMN1; SMN2PKMCYP2C19 | |
| SCHEMBL4323474 | 0.76 | HPGD (0.44) | ALDH1A1MAPTSMN1; SMN2PKMCYP2C19 | |
| SCHEMBL4323703 | 0.76 | HPGD (0.44) | ALDH1A1MAPTSMN1; SMN2PKMCYP2C19 | |
| SCHEMBL27271060 | 0.73 | ALDH1A1 (0.42) | ALDH1A1MEN1KMT2AMAPTTDP1 | |
| SCHEMBL9523049 | 0.71 | ALDH1A1 (0.39) | ALDH1A1MEN1KMT2AMAPTTDP1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0453195-A1 | (S)-alkyl 3-(thien-2-ylthio) butyrate and analogs and synthesis thereof | MERCK & CO. INC. (US) | 1991-10-23 | — | — | EP | disclosed |