Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.76 |
| ▸ | TSHR | P16473 | 7/20 | 0.76 |
| ▸ | TDP1 | Q9NUW8 | 5/20 | 0.76 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.76 |
| ▸ | L3MBTL1 | Q9Y468 | 4/20 | 0.76 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.76 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.56 |
| ▸ | TP53 | P04637 | 2/20 | 0.54 |
| ▸ | LMNA | P02545 | 2/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | SCN1A | P35498 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL7736622 | 1.00 | ALDH1A1 (0.76) | ALDH1A1TSHRTDP1CYP3A4L3MBTL1 | |
| SCHEMBL28103489 | 0.99 | ALDH1A1 (0.78) | ALDH1A1TSHRTDP1CYP3A4L3MBTL1 | |
| SCHEMBL7734044 | 0.88 | TSHR (0.65) | ALDH1A1TSHRTDP1CYP3A4L3MBTL1 | |
| SCHEMBL23812434 | 0.88 | ALDH1A1 (0.63) | ALDH1A1TSHRTDP1CYP3A4L3MBTL1 | |
| SCHEMBL29507350 | 0.87 | TSHR (1.00) | ALDH1A1TSHRTDP1CYP3A4L3MBTL1 | |
| SCHEMBL49678 | 0.87 | TSHR (1.00) | ALDH1A1TSHRTDP1CYP3A4L3MBTL1 | |
| SCHEMBL29507351 | 0.87 | TSHR (1.00) | ALDH1A1TSHRTDP1CYP3A4L3MBTL1 | |
| Dibutyl Phthalate SCHEMBL10408632 | 0.87 | TSHR (1.00) | ALDH1A1TSHRTDP1CYP3A4L3MBTL1 | |
| SCHEMBL6278559 | 0.87 | TSHR (1.00) | ALDH1A1TSHRTDP1CYP3A4L3MBTL1 | |
| Dibutyl Phthalate SCHEMBL28606944 | 0.87 | TSHR (1.00) | ALDH1A1TSHRTDP1CYP3A4L3MBTL1 |
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 |