Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.69 |
| ▸ | TSHR | P16473 | 4/20 | 0.69 |
| ▸ | L3MBTL1 | Q9Y468 | 4/20 | 0.69 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.69 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.69 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.69 |
| ▸ | RAB9A | P51151 | 1/20 | 0.51 |
| ▸ | TP53 | P04637 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | BCHE | P06276 | 1/20 | 0.48 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL7733829 | 1.00 | ALDH1A1 (0.69) | ALDH1A1TSHRL3MBTL1TDP1CYP3A4 | |
| Benzene SCHEMBL28103491 | 1.00 | ALDH1A1 (0.69) | ALDH1A1TSHRL3MBTL1TDP1CYP3A4 | |
| SCHEMBL28103610 | 0.99 | ALDH1A1 (0.67) | ALDH1A1TSHRL3MBTL1TDP1CYP3A4 | |
| SCHEMBL7734041 | 0.89 | TDP1 (0.58) | ALDH1A1TSHRL3MBTL1TDP1CYP3A4 | |
| SCHEMBL19678705 | 0.89 | RAB9A (0.61) | ALDH1A1L3MBTL1TDP1CYP3A4RAB9A | |
| SCHEMBL27845325 | 0.84 | TSHR (0.60) | ALDH1A1TSHRL3MBTL1TDP1CYP3A4 | |
| SCHEMBL28067374 | 0.84 | TSHR (0.60) | ALDH1A1TSHRL3MBTL1TDP1CYP3A4 | |
| SCHEMBL49678 | 0.83 | TSHR (1.00) | ALDH1A1TSHRL3MBTL1TDP1CYP3A4 | |
| SCHEMBL29507351 | 0.83 | TSHR (1.00) | ALDH1A1TSHRL3MBTL1TDP1CYP3A4 | |
| Dibutyl Phthalate SCHEMBL10408632 | 0.83 | TSHR (1.00) | ALDH1A1TSHRL3MBTL1TDP1CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| CN-104370761-A | Benzyl butyl phthalate hapten derivative, preparation method of benzyl butyl phthalate hapten derivative and detection method of benzyl butyl phthalate | UNIV ANHUI NORMAL | 2015-02-25 | — | — | CN | disclosed |
| US-6399318-B1 | ANTIGEN WHICH IS CONJUGATE OF CARRIER PROTEIN AND PHTHALIC ACID ESTER OF DEFINED STRUCTURE; FOR DETECTION AND MEASUREMENT OF PLASTICIZERS IN ENVIRONMENT | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2002-06-04 | — | — | US | disclosed |