Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | VCAM1 | P19320 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | CRHBP | P24387 | 1/20 | 0.38 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7407028 | 0.91 | TSHR (0.47) | ALDH1A1HPGDKMT2AMAPTLMNA | |
| SCHEMBL7407032 | 0.91 | TSHR (0.47) | ALDH1A1HPGDKMT2AMAPTLMNA | |
| SCHEMBL6948552 | 0.87 | KMT2A (0.44) | VCAM1ALDH1A1HPGDNPSR1KMT2A | |
| SCHEMBL7450087 | 0.86 | PDK1 (0.42) | VCAM1ALDH1A1HPGDNPSR1PDK1 | |
| SCHEMBL27409857 | 0.86 | PDK1 (0.35) | VCAM1ALDH1A1HPGDNPSR1PDK1 | |
| SCHEMBL6944749 | 0.81 | NOTUM (0.39) | ALDH1A1MAPTRAB9ANPC1LMNA | |
| SCHEMBL17991557 | 0.81 | VCAM1 (0.48) | VCAM1ALDH1A1HPGDNPSR1PDK1 | |
| SCHEMBL31260597 | 0.81 | PDK1 (0.58) | VCAM1ALDH1A1HPGDNPSR1PDK1 | |
| SCHEMBL24211 | 0.81 | PDK1 (0.58) | VCAM1ALDH1A1HPGDNPSR1PDK1 | |
| SCHEMBL5957173 | 0.80 | PDGFRB (0.55) | VCAM1ALDH1A1HPGDNPSR1PDK1 |
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-0674623-A1 | BICYCLIC FIBRINOGEN ANTAGONISTS | SMITHKLINE BEECHAM CORPORATION (US) | 1995-10-04 | — | — | EP | disclosed |
| WO-1994014776-A2 | BICYCLIC FIBRINOGEN ANTAGONISTS | SMITHKLINE BEECHAM CORPORATION (US) | 1994-07-07 | — | — | WO | disclosed |