Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ELANE | P08246 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.45 |
| ▸ | HPGD | P15428 | 3/20 | 0.45 |
| ▸ | RAB9A | P51151 | 3/20 | 0.45 |
| ▸ | NPC1 | O15118 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | CES2 | O00748 | 2/20 | 0.43 |
| ▸ | CES1 | P23141 | 2/20 | 0.43 |
| ▸ | DAO | P14920 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | GSK3B | P49841 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL7347925 | 0.86 | DAO (0.47) | ELANEALDH1A1HPGDRAB9ANPC1 | |
| SCHEMBL9480011 | 0.85 | RAB9A (0.44) | ELANEALDH1A1HPGDRAB9ANPC1 | |
| Hydrochloric Acid SCHEMBL7353048 | 0.84 | ELANE (0.46) | ELANEALDH1A1HPGDRAB9ANPC1 | |
| SCHEMBL9369760 | 0.84 | ELANE (0.54) | ELANEALDH1A1HPGDRAB9ANPC1 | |
| SCHEMBL7314482 | 0.76 | ELANE (0.56) | ELANEALDH1A1HPGDRAB9ANPC1 | |
| SCHEMBL11450091 | 0.74 | KMT2A (0.57) | ELANEALDH1A1HPGDRAB9ANPC1 | |
| Hydrochloric Acid SCHEMBL9480017 | 0.74 | RAB9A (0.44) | ELANEALDH1A1HPGDRAB9ANPC1 | |
| SCHEMBL27970312 | 0.69 | CES2 (0.62) | ALDH1A1HPGDRAB9ANPC1SMN1; SMN2 | |
| SCHEMBL9311296 | 0.69 | RAB9A (0.49) | ELANEALDH1A1HPGDRAB9ANPC1 | |
| SCHEMBL23793030 | 0.69 | RAB9A (0.56) | ALDH1A1HPGDRAB9ANPC1SMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0557303-B1 | N- (2-THENOYLMERCAPTO-3-METHYL)-BUTANOYL]-HOMOCYSTEINE THIOLACTONE, A PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING IT | MEDEA RES SRL (IT) | 1994-09-14 | — | — | EP | claimed |
| WO-1992008713-A1 | N-[(2-THENOYLMERCAPTO-3-METHYL)-BUTANOYL]-HOMOCYSTEINE THIOLACTONE, A PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING IT | MEDEA RESEARCH S.R.L. (IT) | 1992-05-29 | — | — | WO | claimed |