Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4C | Q9H3R0 | 2/20 | 0.40 |
| ▸ | APAF1 | O14727 | 2/20 | 0.40 |
| ▸ | CASP3 | P42574 | 1/20 | 0.40 |
| ▸ | CASP6 | P55212 | 1/20 | 0.40 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.40 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.40 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.40 |
| ▸ | GPR84 | Q9NQS5 | 6/20 | 0.37 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | CASP1 | P29466 | 1/20 | 0.36 |
| ▸ | BRCA1 | P38398 | 1/20 | 0.36 |
| ▸ | CASP7 | P55210 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.35 |
| ▸ | YTHDC1 | Q96MU7 | 1/20 | 0.35 |
| ▸ | TYMP | P19971 | 2/20 | 0.35 |
| ▸ | ESR1 | P03372 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL27337028 | 0.77 | GPR84 (0.41) | GPR84 | |
| SCHEMBL3497870 | 0.77 | MEN1 (0.62) | KDM4CAPAF1CASP3CASP6SENP8 | |
| SCHEMBL8154152 | 0.72 | GPR84 (0.38) | KDM4CAPAF1GPR84HSD17B10TAAR1 | |
| Benzene SCHEMBL27985319 | 0.72 | ESR1 (0.44) | S1PR1MEN1KMT2ASMN1; SMN2ESR1 | |
| SCHEMBL9818045 | 0.72 | ESR1 (0.44) | S1PR1MEN1KMT2ASMN1; SMN2ESR1 | |
| SCHEMBL39946 | 0.72 | ESR1 (0.44) | S1PR1MEN1KMT2ASMN1; SMN2ESR1 | |
| Water SCHEMBL10786878 | 0.70 | ESR1 (0.43) | S1PR1MEN1KMT2ASMN1; SMN2ESR1 | |
| Ammonia Solution, Strong SCHEMBL28398668 | 0.70 | ESR1 (0.43) | S1PR1MEN1KMT2ASMN1; SMN2ESR1 | |
| Methane SCHEMBL27634949 | 0.70 | ESR1 (0.43) | S1PR1MEN1KMT2ASMN1; SMN2ESR1 | |
| SCHEMBL11224697 | 0.69 | ESR1 (0.36) | S1PR1MEN1KMT2ASMN1; SMN2TAAR1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6177437-B1 | VIRICIDES | UNIVERSITY OF MASSACHUSETTS MEDICAL CENTER | 2001-01-23 | — | — | US | disclosed |
| US-4277603-A | Preparation of 5-deazariboflavins | MERCK & CO., INC. (US) | 1981-07-07 | — | — | US | disclosed |