Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | GLA | P06280 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.43 |
| ▸ | MEN1 | O00255 | 3/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 3/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | LTB4R2 | Q9NPC1 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7497334 | 0.86 | ALDH1A1 (0.61) | ALDH1A1TSHRGLASMN1; SMN2MEN1 | |
| SCHEMBL11800781 | 0.84 | MLYCD (0.48) | ALDH1A1TSHRGLA | |
| SCHEMBL10992263 | 0.83 | TSHR (0.49) | ALDH1A1TSHRGLASMN1; SMN2MEN1 | |
| SCHEMBL889502 | 0.83 | NPC1 (0.54) | ALDH1A1TSHRGLASMN1; SMN2MEN1 | |
| SCHEMBL11381568 | 0.78 | LMNA (0.44) | ALDH1A1TSHRMEN1KMT2ACYP3A4 | |
| SCHEMBL9676609 | 0.77 | ALDH1A1 (0.53) | ALDH1A1TSHRGLASMN1; SMN2MEN1 | |
| SCHEMBL27667525 | 0.77 | NPSR1 (0.52) | ALDH1A1TSHRGLASMN1; SMN2KMT2A | |
| SCHEMBL13735234 | 0.77 | ALDH1A1 (0.52) | ALDH1A1TSHRGLASMN1; SMN2MEN1 | |
| Hydrochloric Acid SCHEMBL29257312 | 0.76 | NPSR1 (0.50) | ALDH1A1TSHRGLASMN1; SMN2KMT2A | |
| SCHEMBL7497496 | 0.76 | KMT2A (0.46) | SMN1; SMN2KMT2ALMNAKDM4EHTT |
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 |