Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 8/20 | 0.51 |
| ▸ | NPC1 | O15118 | 8/20 | 0.51 |
| ▸ | AGTR1 | P30556 | 3/20 | 0.51 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.47 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | CASP1 | P29466 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.41 |
| ▸ | MEN1 | O00255 | 4/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | PKM | P14618 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL9507234 | 1.00 | RAB9A (0.51) | RAB9ANPC1AGTR1OPRK1TDP1 | |
| SCHEMBL9509537 | 0.84 | TDP1 (0.47) | RAB9ANPC1AGTR1OPRK1TDP1 | |
| SCHEMBL9509534 | 0.84 | TDP1 (0.47) | RAB9ANPC1AGTR1OPRK1TDP1 | |
| SCHEMBL27819564 | 0.81 | RAB9A (0.51) | RAB9ANPC1AGTR1OPRK1TDP1 | |
| SCHEMBL9366196 | 0.77 | RAB9A (0.54) | RAB9ANPC1TDP1MAPTSMN1; SMN2 | |
| SCHEMBL9366182 | 0.77 | RAB9A (0.54) | RAB9ANPC1TDP1MAPTSMN1; SMN2 | |
| SCHEMBL1173277 | 0.76 | RAB9A (0.46) | RAB9ANPC1AGTR1OPRK1TDP1 | |
| SCHEMBL1173275 | 0.76 | RAB9A (0.46) | RAB9ANPC1AGTR1OPRK1TDP1 | |
| SCHEMBL11078685 | 0.76 | NPC1 (0.52) | RAB9ANPC1AGTR1OPRK1TDP1 | |
| SCHEMBL3725584 | 0.75 | CYP1B1 (0.50) | RAB9ANPC1MAPTSMN1; SMN2L3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0298380-B1 | PROCESS FOR THE PREPARATION OF ALPHA-BETA-SUBSTITUTED ACROLEINS | BASF Aktiengesellschaft (DE) | 1993-09-29 | — | — | EP | disclosed |
| US-4920232-A | CHEMICAL INTERMEDIATES | BASF AKTIENGESELLSCHAFT (DE) | 1990-04-24 | — | — | US | disclosed |
| EP-0298380-A2 | Process for the preparation of alpha-beta-substituted acroleins | BASF Aktiengesellschaft (DE) | 1989-01-11 | — | — | EP | disclosed |