Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 2/20 | 0.33 |
| ▸ | EDNRA | P25101 | 1/20 | 0.32 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.31 |
| ▸ | GRIN2B | Q13224 | 3/20 | 0.31 |
| ▸ | ACHE | P22303 | 3/20 | 0.31 |
| ▸ | TACR1 | P25103 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 2/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.30 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.30 |
| ▸ | FNTA | P49354 | 1/20 | 0.30 |
| ▸ | FNTB | P49356 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL8890828 | 0.92 | TACR1 (0.33) | GRIN2BACHETACR1FNTAFNTB | |
| SCHEMBL8891361 | 0.89 | ALDH1A1 (0.34) | KDM4EALDH1A1GAATDP1POLB | |
| Bromide SCHEMBL8890170 | 0.86 | ALDH1A1 (0.37) | KDM4EALDH1A1GAATDP1POLB | |
| SCHEMBL8891554 | 0.79 | TACR1 (0.39) | ACHETACR1FNTAFNTB | |
| Bromide SCHEMBL8890819 | 0.78 | TACR1 (0.39) | ACHETACR1FNTAFNTB | |
| Bromide SCHEMBL8891355 | 0.75 | ALDH1A1 (0.38) | KDM4EALDH1A1GAATDP1POLB | |
| SCHEMBL8891902 | 0.72 | SIGMAR1 (0.39) | KDM4EALDH1A1GAASIGMAR1TACR1 | |
| SCHEMBL8892577 | 0.72 | TACR1 (0.39) | GAASIGMAR1ACHETACR1MEN1 | |
| Bromide SCHEMBL8891469 | 0.70 | TACR1 (0.35) | KDM4EALDH1A1GAATDP1POLB | |
| SCHEMBL8892349 | 0.70 | LMNA (0.38) | ALDH1A1MEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| WO-1997005110-A1 | PERHYDROISOINDOLE DERIVATIVES AS SUBSTANCE P AND NEUROKININE A ANTAGONISTS | RHONE-POULENC RORER S.A. (FR) | 1997-02-13 | — | — | WO | claimed |
| WO-1997005110-A1 | PERHYDROISOINDOLE DERIVATIVES AS SUBSTANCE P AND NEUROKININE A ANTAGONISTS | RHONE-POULENC RORER S.A. (FR) | 1997-02-13 | — | — | WO | disclosed |