Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | VCAM1 | P19320 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 6/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 5/20 | 0.39 |
| ▸ | XDH | P47989 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL9055031 | 0.82 | VCAM1 (0.49) | VCAM1TSHRCYP3A4ALDH1A1RECQL | |
| SCHEMBL9055010 | 0.76 | HTT (0.51) | VCAM1TSHRALDH1A1RECQLMAPT | |
| SCHEMBL9055020 | 0.75 | TDP1 (0.42) | VCAM1TSHRCYP3A4ALDH1A1MAPT | |
| SCHEMBL27174970 | 0.73 | VCAM1 (0.42) | VCAM1TSHRCYP3A4ALDH1A1MAPT | |
| SCHEMBL15365254 | 0.73 | VCAM1 (0.47) | VCAM1TSHRCYP3A4ALDH1A1RECQL | |
| SCHEMBL28043952 | 0.73 | VCAM1 (0.47) | VCAM1TSHRCYP3A4ALDH1A1RECQL | |
| SCHEMBL29764392 | 0.72 | CRBN (0.44) | VCAM1TSHRCYP3A4ALDH1A1RECQL | |
| SCHEMBL2769856 | 0.72 | CRBN (0.44) | VCAM1TSHRCYP3A4ALDH1A1RECQL | |
| SCHEMBL3183970 | 0.71 | VCAM1 (0.51) | VCAM1TSHRCYP3A4ALDH1A1RECQL | |
| SCHEMBL5418172 | 0.71 | VCAM1 (0.51) | VCAM1TSHRCYP3A4ALDH1A1MAPT |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5545744-A | Cyano naphthalene compounds | AGOURON PHARMACEUTICALS, INC. (US) | 1996-08-13 | — | — | US | disclosed |
| US-5498727-A | Preparation of benzindole compounds from naphthalene compounds | AGOURON PHARMACEUTICALS, INC. (US) | 1996-03-12 | — | — | US | disclosed |
| WO-1996002502-A1 | PREPARATION OF BENZINDOLE COMPOUNDS FROM NAPHTHALENE COMPOUNDS | AGOURON PHARMACEUTICALS, INC. (US) | 1996-02-01 | — | — | WO | disclosed |