Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | PIN1 | Q13526 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.43 |
| ▸ | CAMK2A | Q9UQM7 | 1/20 | 0.43 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | IDO1 | P14902 | 2/20 | 0.41 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.41 |
| ▸ | ACP3 | P15309 | 1/20 | 0.41 |
| ▸ | BLM | P54132 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL29568643 | 0.82 | CYP1A2 (0.47) | TSHRNPSR1PIN1CYP1A2CYP2D6 | |
| SCHEMBL7901109 | 0.82 | CYP1A2 (0.47) | TSHRNPSR1PIN1CYP1A2CYP2D6 | |
| SCHEMBL901095 | 0.82 | CYP1A2 (0.47) | TSHRNPSR1PIN1CYP1A2CYP2D6 | |
| SCHEMBL8410178 | 0.81 | ALDH1A1 (0.41) | TSHRNPSR1CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL8045772 | 0.81 | ALDH1A1 (0.41) | TSHRNPSR1CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL3327022 | 0.81 | ALDH1A1 (0.41) | TSHRNPSR1CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL10495238 | 0.81 | TAS1R3 (0.49) | TSHRNPSR1PIN1CYP11B2HTT | |
| SCHEMBL1812009 | 0.81 | TSHR (0.45) | TSHRNPSR1PIN1CYP11B2HTT | |
| SCHEMBL6810389 | 0.80 | POLB (0.40) | TSHRNPSR1PIN1CYP1A2CYP2D6 | |
| SCHEMBL27350113 | 0.77 | SIGMAR1 (0.59) | TSHRNPSR1PIN1HTTPDPK1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4404271-A | RESIN CAMPATIBLE | ORIENT CHEMICAL INDUSTRIES, LTD. (JP) | 1983-09-13 | — | — | US | claimed |
| US-5776365-A | COMPOUNDS WITH OPTICAL ACTIVITY AND SWITCHES FOR CONTRAST | MITSUI CHEMICALS, INC. (JP) | 1998-07-07 | — | — | US | disclosed |
| US-5725798-A | CARBOXYLIC ESTERS FOR ELECTRICAL APPARATUS, SWITCHES AND CONTRAST | MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) | 1998-03-10 | — | — | US | disclosed |
| US-4404271-A | RESIN CAMPATIBLE | ORIENT CHEMICAL INDUSTRIES, LTD. (JP) | 1983-09-13 | — | — | US | disclosed |