Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.38 |
| ▸ | TSHR | P16473 | 5/20 | 0.35 |
| ▸ | NPC1 | O15118 | 4/20 | 0.35 |
| ▸ | RAB9A | P51151 | 3/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | CASP1 | P29466 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 3/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.34 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.34 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.34 |
| ▸ | STAT3 | P40763 | 1/20 | 0.34 |
| ▸ | HTR3A | P46098 | 2/20 | 0.33 |
| ▸ | CHUK | O15111 | 1/20 | 0.33 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.33 |
| ▸ | PRKCG | P05129 | 1/20 | 0.33 |
| ▸ | PRKCB | P05771 | 1/20 | 0.33 |
| ▸ | PRKCA | P17252 | 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 | |
|---|---|---|---|---|
| SCHEMBL6954025 | 0.73 | HTR3A (0.36) | ALDH1A1TSHRNPC1RAB9AHSD17B10 | |
| SCHEMBL17142264 | 0.70 | ALDH1A1 (0.43) | ALDH1A1MAPTSMN1; SMN2POLBKDM4E | |
| SCHEMBL288555 | 0.69 | CYP19A1 (0.42) | ALDH1A1NPC1MAPTCYP19A1CYP11B1 | |
| SCHEMBL17086891 | 0.69 | CYP19A1 (0.45) | ALDH1A1MAPTCYP19A1CYP11B1CYP11B2 | |
| SCHEMBL12646517 | 0.68 | EDNRA (0.41) | ALDH1A1TSHRHSD17B10MAPTCYP19A1 | |
| SCHEMBL38659237 | 0.67 | CYP19A1 (0.44) | ALDH1A1MAPTCYP19A1CYP11B1CYP11B2 | |
| SCHEMBL288743 | 0.67 | TSHR (0.42) | TSHRHSD17B10LMNACYP1A2CYP3A4 | |
| SCHEMBL10398173 | 0.66 | CA2 (0.47) | ALDH1A1TSHRRAB9AMAPK1MAPT | |
| SCHEMBL29800758 | 0.66 | CA2 (0.47) | ALDH1A1TSHRRAB9AMAPK1MAPT | |
| SCHEMBL2386245 | 0.64 | LMNA (0.42) | MAPK1MAPTPOLBCYP19A1CYP11B1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0669920-A4 | SUBSTITUTED 3-(AMINOALKYLAMINO)-1,2-BENZISOXAZOLES AND RELATED COMPOUNDS. | HOECHST ROUSSEL PHARMA (US) | 1995-10-25 | — | — | EP | disclosed |
| EP-0669920-A1 | SUBSTITUTED 3-(AMINOALKYLAMINO)-1,2-BENZISOXAZOLES AND RELATED COMPOUNDS | HOECHST MARION ROUSSEL, Inc. (US) | 1995-09-06 | — | — | EP | disclosed |