Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.50 |
| ▸ | TP53 | P04637 | 3/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | GLA | P06280 | 2/20 | 0.48 |
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | NPC1 | O15118 | 4/20 | 0.46 |
| ▸ | RAB9A | P51151 | 4/20 | 0.46 |
| ▸ | HTT | P42858 | 4/20 | 0.46 |
| ▸ | PAX8 | Q06710 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | JAK2 | O60674 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | LTB4R2 | Q9NPC1 | 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 | |
|---|---|---|---|---|
| SCHEMBL11618038 | 0.87 | ALDH1A1 (0.61) | ALDH1A1SMN1; SMN2TP53LMNAGLA | |
| SCHEMBL10986954 | 0.86 | ALDH1A1 (0.47) | ALDH1A1SMN1; SMN2TP53LMNAGLA | |
| SCHEMBL10986773 | 0.86 | TP53 (0.39) | ALDH1A1SMN1; SMN2TP53LMNAPOLB | |
| SCHEMBL9614327 | 0.85 | ALDH1A1 (0.49) | ALDH1A1SMN1; SMN2TP53LMNAGLA | |
| SCHEMBL10987782 | 0.84 | RAB9A (0.55) | ALDH1A1SMN1; SMN2TP53LMNAGLA | |
| SCHEMBL10986948 | 0.83 | ALDH1A1 (0.45) | ALDH1A1SMN1; SMN2TP53LMNAGLA | |
| SCHEMBL10990411 | 0.82 | ALDH1A1 (0.50) | ALDH1A1SMN1; SMN2TP53LMNAGLA | |
| SCHEMBL10984413 | 0.82 | ALDH1A1 (0.46) | ALDH1A1SMN1; SMN2TP53LMNAGLA | |
| SCHEMBL11498580 | 0.82 | TSHR (0.48) | ALDH1A1SMN1; SMN2TP53LMNAGLA | |
| SCHEMBL10985942 | 0.81 | KMT2A (0.49) | ALDH1A1SMN1; SMN2TP53LMNAGLA |
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-4561879-A | Composition and method for combating weeds using an N-imidazolylmethyl halogenoacetanilide | BAYER AKTIENGESELLSCHAFT (DE) | 1985-12-31 | — | — | US | disclosed |
| US-4517011-A | N-substituted halogenoacetanilides and their use as herbicides | BAYER AKTIENGESELLSCHAFT (DE) | 1985-05-14 | — | — | US | disclosed |