Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 4/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | FAAH | O00519 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | HTR2C | P28335 | 2/20 | 0.34 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.34 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL5944513 | 0.76 | APOBEC3A (0.40) | HPGDHTTSMN1; SMN2ALDH1A1MAPK1 | |
| SCHEMBL5944497 | 0.74 | POLB (0.42) | ACHEHTTSMN1; SMN2ALDH1A1ADRB1 | |
| SCHEMBL5281905 | 0.73 | APOBEC3A (0.37) | HPGDHTTSMN1; SMN2ALDH1A1MAPK1 | |
| M-Xylene SCHEMBL9740569 | 0.72 | ACHE (0.80) | ACHEHPGDHTTFAAHALDH1A1 | |
| SCHEMBL5944446 | 0.72 | ACHE (0.40) | ACHEHTTSMN1; SMN2ALDH1A1ADRB1 | |
| SCHEMBL16612276 | 0.71 | KMT2A (0.38) | HPGDALDH1A1 | |
| SCHEMBL16612635 | 0.71 | KMT2A (0.38) | HPGDALDH1A1 | |
| M-Xylene SCHEMBL10491510 | 0.70 | ACHE (0.75) | ACHEHPGDHTTFAAHALDH1A1 | |
| SCHEMBL16612359 | 0.68 | KMT2A (0.39) | HPGDALDH1A1 | |
| SCHEMBL23161474 | 0.68 | TDP1 (0.35) | HPGDHTTSMN1; SMN2ALDH1A1MAPK1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5521165-A | HETEROCYCLIC ORGANOBORON DERIVATIVES IN A POLYMER MATRIX | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1996-05-28 | — | — | US | disclosed |
| US-5464626-A | EXPOSING A THREE-DIMENSIONAL SPACE TO A SPECIFIED CARBONATE COMPOUND | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1995-11-07 | — | — | US | disclosed |
| US-5449695-A | Method for repelling aedes aegyptae using carbocyclic ketones, aldehydes and esters | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1995-09-12 | — | — | US | disclosed |